N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide

C13H24N2O — CID 107003388

IUPACN-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H24N2O/c1-12(2)8-10(12)11(16)15-13(9-14)6-4-3-5-7-13/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyMGJALBDNXVKMFZ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.81
Rot. Bonds3

About N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107003388) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107003388
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C13H24N2O/c1-12(2)8-10(12)11(16)15-13(9-14)6-4-3-5-7-13/h10H,3-9,14H2,1-2H3,(H,15,16)
InChIKeyMGJALBDNXVKMFZ-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 N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-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

N-[1-(aminomethyl)cyclopentyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 119566673
N-[1-(aminomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475793
N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003340
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045
1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
N-[1-(aminomethyl)cyclohexyl]adamantane-2-carboxamide
CID 81099191
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106703092
N-[1-(aminomethyl)cyclopentyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119568326
1-acetyl-N-[1-(aminomethyl)cyclopentyl]piperidine-3-carboxamide
CID 119565447

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107003388) is N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MGJALBDNXVKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(2)8-10(12)11(16)15-13(9-14)6-4-3-5-7-13/h10H,3-9,14H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-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 N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).