1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide

C13H24N2O — CID 80598202

IUPAC1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC1(C)CCCCC1NC(=O)C1(CN)CC1
InChIInChI=1S/C13H24N2O/c1-12(2)6-4-3-5-10(12)15-11(16)13(9-14)7-8-13/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyJMKFHUBUTPOSCF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds3

About 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide (PubChem CID 80598202) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
PubChem CID80598202
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide
SMILESCC1(C)CCCCC1NC(=O)C1(CN)CC1
InChIInChI=1S/C13H24N2O/c1-12(2)6-4-3-5-10(12)15-11(16)13(9-14)7-8-13/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyJMKFHUBUTPOSCF-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-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

1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80598318
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)-3-methylcyclobutane-1-carboxamide
CID 80598201
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213565
6-amino-N-(2,2-dimethylcyclohexyl)hexanamide
CID 79878465
2-amino-N-(2,2-dimethylcyclohexyl)-1-methylcyclopentane-1-carboxamide
CID 82768367
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopropane-1-carboxamide
CID 80597965
1-(aminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119819128
(2R)-2-amino-N-(2,2-dimethylcyclohexyl)butanamide
CID 79878292
1-[(2,2-dimethylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79872847
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
1-(aminomethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)cyclobutane-1-carboxamide
CID 115447542

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide (CID 80598202) is 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide is CC1(C)CCCCC1NC(=O)C1(CN)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide?
The InChIKey is JMKFHUBUTPOSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)6-4-3-5-10(12)15-11(16)13(9-14)7-8-13/h10H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-dimethylcyclohexyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).