4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide

C17H32N2O — CID 81489736

IUPAC4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C17H32N2O/c1-12(2)15-5-3-4-6-16(15)19-17(20)14-9-7-13(11-18)8-10-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyNTCIYGWCUFBYAQ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.08
Rot. Bonds4

About 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 81489736) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID81489736
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
SMILESCC(C)C1CCCCC1NC(=O)C1CCC(CN)CC1
InChIInChI=1S/C17H32N2O/c1-12(2)15-5-3-4-6-16(15)19-17(20)14-9-7-13(11-18)8-10-14/h12-16H,3-11,18H2,1-2H3,(H,19,20)
InChIKeyNTCIYGWCUFBYAQ-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide 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

2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 79526837
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine
CID 78965826
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 79526672
(2R)-N-(2-propan-2-ylcyclohexyl)pyrrolidine-2-carboxamide
CID 103796390
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
1-butyl-3-(2-propan-2-ylcyclohexyl)urea
CID 115610978
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide (CID 81489736) is 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is CC(C)C1CCCCC1NC(=O)C1CCC(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is NTCIYGWCUFBYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12(2)15-5-3-4-6-16(15)19-17(20)14-9-7-13(11-18)8-10-14/h12-16H,3-11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 81489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).