5-AMINOMETHYL-2,4,4-TRIMETHYL-1-CYCLOPENTYLAMINE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key QKHWUKPTSMULMZ-BWZBUEFSSA-N
Smiles C[C@@H]1CC(C)(C)[C@H](C[NH3+])[C@@H]1[NH3+]
InChI
InChI=1S/C9H20N2/c1-6-4-9(2,3)7(5-10)8(6)11/h6-8H,4-5,10-11H2,1-3H3/t6-,7-,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20N2
Molecular Weight 156.16
AlogP 0.95
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 52.04
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 67907-32-8
NORMAN SUSDAT
CONTENTS