(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide

C16H32N2O — CID 79878962

IUPAC(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NC1CCCCC1(C)C
InChIInChI=1S/C16H32N2O/c1-12(2)9-13(11-17)10-15(19)18-14-7-5-6-8-16(14,3)4/h12-14H,5-11,17H2,1-4H3,(H,18,19)/t13-,14?/m0/s1
InChIKeyRXNYBYQKSZSIHT-LSLKUGRBSA-N
MW268.44 g/mol
LogP3.08
Rot. Bonds6

About (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide

(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide (PubChem CID 79878962) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
PubChem CID79878962
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide
SMILESCC(C)C[C@H](CN)CC(=O)NC1CCCCC1(C)C
InChIInChI=1S/C16H32N2O/c1-12(2)9-13(11-17)10-15(19)18-14-7-5-6-8-16(14,3)4/h12-14H,5-11,17H2,1-4H3,(H,18,19)/t13-,14?/m0/s1
InChIKeyRXNYBYQKSZSIHT-LSLKUGRBSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-5-methylhexanamide
CID 79878870
2-amino-N-(2,2-dimethylcyclohexyl)-4-methylpentanamide
CID 79878464
(3S)-3-(aminomethyl)-5-methyl-N-(2,2,3,3-tetramethylcyclopropyl)hexanamide
CID 79362527
4-amino-N-(2,2-dimethylcyclohexyl)pentanamide;hydrochloride
CID 120562889
1-(2,2-dimethylcyclopentyl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
CID 111841147
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
3-(aminomethyl)-1-cycloheptyl-5-methylhexan-1-one
CID 116577015
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
CID 80598202
N-(2,2-dimethylcyclopentyl)-3-piperidin-4-ylbutanamide
CID 119790559
(3S)-3-(aminomethyl)-N-(3-cyclopentylpropyl)-5-methylhexanamide
CID 106011625

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide?
The IUPAC name of (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide (CID 79878962) is (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide.
What is the SMILES notation for (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide?
The canonical SMILES for (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide is CC(C)C[C@H](CN)CC(=O)NC1CCCCC1(C)C.
What is the InChIKey of (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide?
The InChIKey is RXNYBYQKSZSIHT-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)9-13(11-17)10-15(19)18-14-7-5-6-8-16(14,3)4/h12-14H,5-11,17H2,1-4H3,(H,18,19)/t13-,14?/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide?
(3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide has a molecular weight of 268.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-5-methylhexanamide is sourced from PubChem (CID 79878962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).