4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide

C14H24N2O — CID 79526988

IUPAC4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC2CC=CCC2)CC1
InChIInChI=1S/C14H24N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-2,11-13H,3-10,15H2,(H,16,17)
InChIKeyDKGISQJEYQWUKB-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.98
Rot. Bonds3

About 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide

4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide (PubChem CID 79526988) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
PubChem CID79526988
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NC2CC=CCC2)CC1
InChIInChI=1S/C14H24N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-2,11-13H,3-10,15H2,(H,16,17)
InChIKeyDKGISQJEYQWUKB-UHFFFAOYSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-cyclopent-3-en-1-ylcyclohexane-1-carboxamide
CID 104694630
N-cyclopent-3-en-1-ylcyclopropanecarboxamide
CID 115696635
4-(aminomethyl)-N-cyclopentylcyclohexane-1-carboxamide;hydrochloride
CID 165437685
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
4-(aminomethyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104963769
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
2-(cyclohex-3-en-1-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976203
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057
(2R)-2-amino-N-cyclohex-3-en-1-ylpropanamide
CID 79013984
cis-(1R,3S)-3-(cyclohex-3-ene-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320857
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide (CID 79526988) is 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide is NCC1CCC(C(=O)NC2CC=CCC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide?
The InChIKey is DKGISQJEYQWUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-10-11-6-8-12(9-7-11)14(17)16-13-4-2-1-3-5-13/h1-2,11-13H,3-10,15H2,(H,16,17).
What are the key properties of 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide?
4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohex-3-en-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 79526988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).