4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide

C13H24N2O — CID 104963769

IUPAC4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C13H24N2O/c1-9-6-12(7-9)15-13(16)11-4-2-10(8-14)3-5-11/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyUFXCHSYHXQFBOA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.67
Rot. Bonds3

About 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide (PubChem CID 104963769) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
PubChem CID104963769
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCC(CN)CC2)C1
InChIInChI=1S/C13H24N2O/c1-9-6-12(7-9)15-13(16)11-4-2-10(8-14)3-5-11/h9-12H,2-8,14H2,1H3,(H,15,16)
InChIKeyUFXCHSYHXQFBOA-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057
4-amino-N-(3,5-dimethylcyclohexyl)-3-methylcyclohexane-1-carboxamide
CID 64733535
4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
CID 79526988
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 79526837
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[[4-(aminomethyl)cyclohexyl]methyl]-3-methylcyclobutan-1-amine
CID 104963633
N-(5-methylpiperidin-3-yl)cyclopropanecarboxamide
CID 173311262
4-(aminomethyl)-N-(2-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 81489736
(2S,5R)-5-(aminomethyl)-N-(3,5-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793763

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide (CID 104963769) is 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2CCC(CN)CC2)C1.
What is the InChIKey of 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
The InChIKey is UFXCHSYHXQFBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9-6-12(7-9)15-13(16)11-4-2-10(8-14)3-5-11/h9-12H,2-8,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide has a molecular weight of 224.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104963769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).