N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide

C16H30N2O — CID 115308452

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
SMILESCC1CCCCC1(CN)NC(=O)CC1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13-7-5-6-10-16(13,12-17)18-15(19)11-14-8-3-2-4-9-14/h13-14H,2-12,17H2,1H3,(H,18,19)
InChIKeyXVVYCJHCCHPSNA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.98
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide (PubChem CID 115308452) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
PubChem CID115308452
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide
SMILESCC1CCCCC1(CN)NC(=O)CC1CCCCC1
InChIInChI=1S/C16H30N2O/c1-13-7-5-6-10-16(13,12-17)18-15(19)11-14-8-3-2-4-9-14/h13-14H,2-12,17H2,1H3,(H,18,19)
InChIKeyXVVYCJHCCHPSNA-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide 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

N-[1-(aminomethyl)-2-methylcyclohexyl]but-3-enamide
CID 115308433
N-[1-(aminomethyl)-2-methylcyclohexyl]nonanamide
CID 115308344
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methoxybutanamide
CID 115308528
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
CID 115308496
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dimethylbutanamide
CID 113283692
N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(cyclohexen-1-yl)acetamide
CID 115308576
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 115308488
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 115308618
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-cyclopentylacetamide
CID 115456696

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide (CID 115308452) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide is CC1CCCCC1(CN)NC(=O)CC1CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide?
The InChIKey is XVVYCJHCCHPSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13-7-5-6-10-16(13,12-17)18-15(19)11-14-8-3-2-4-9-14/h13-14H,2-12,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide has a molecular weight of 266.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-cyclohexylacetamide is sourced from PubChem (CID 115308452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).