EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	R555WMX5UK
EPA CompTox	DTXSID60863017

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

R555WMX5UK

EPA CompTox

DTXSID60863017


InChI Key	YKGBNAGNNUEZQC-UHFFFAOYSA-N
Smiles	N(CCCCCC(C)C)(CCCCCC(C)C)CCCCCC(C)C
InChI	InChI=1/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3

InChI Key

YKGBNAGNNUEZQC-UHFFFAOYSA-N

Smiles

N(CCCCCC(C)C)(CCCCCC(C)C)CCCCCC(C)C

InChI

InChI=1/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3

Property Name	Value
Molecular Formula	C24H51N
Molecular Weight	353.4
AlogP	7.94
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	3.24
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C24H51N

Molecular Weight

353.4

AlogP

7.94

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

3.24

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	2757-28-0
NORMAN SUSDAT
FDA SRS	R555WMX5UK
PubChem	75991

Resources

Reference

CAS NUMBER

2757-28-0

NORMAN SUSDAT

FDA SRS

R555WMX5UK

PubChem

75991

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

TRIS(6-METHYLHEPTYL)AMINE

Structure

Physicochemical Descriptors

Cross References