2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide

C14H26N2O — CID 114546167

IUPAC2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2CCCCC2CN)C1
InChIInChI=1S/C14H26N2O/c1-10-6-7-12(8-10)16-14(17)13-5-3-2-4-11(13)9-15/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyPSASIYGZQIIZAZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.06
Rot. Bonds3

About 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide

2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 114546167) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID114546167
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2CCCCC2CN)C1
InChIInChI=1S/C14H26N2O/c1-10-6-7-12(8-10)16-14(17)13-5-3-2-4-11(13)9-15/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyPSASIYGZQIIZAZ-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[(3-methylcyclopentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114093102
trans-(1R,2S)-2-(aminomethyl)-N-(2-methylcyclopropyl)cyclopentane-1-carboxamide
CID 130760150
2-methyl-N-(3-methylcyclopentyl)cyclopropane-1-carboxamide
CID 114549485
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550
2-(aminomethyl)-N-(2-methyloxolan-3-yl)cyclohexane-1-carboxamide
CID 82728576
2-(aminomethyl)-N-(thiolan-3-yl)cyclopentane-1-carboxamide
CID 103822247
2-amino-N-(3-methylcyclopentyl)acetamide
CID 114546114
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115
3-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030768
2-(aminomethyl)-N-[(3-hydroxycyclobutyl)methyl]cyclohexane-1-carboxamide
CID 66004226
2-(aminomethyl)-N-[(1S)-1-cyclohexylethyl]cyclohexane-1-carboxamide
CID 81386609
2-[[(3-methylcyclopentyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114548909

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide (CID 114546167) is 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide is CC1CCC(NC(=O)C2CCCCC2CN)C1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is PSASIYGZQIIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10-6-7-12(8-10)16-14(17)13-5-3-2-4-11(13)9-15/h10-13H,2-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide?
2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114546167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).