2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide

C14H24N2O — CID 113475297

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide
SMILESNCC1(CC(=O)NC2CC=CC2)CCCCC1
InChIInChI=1S/C14H24N2O/c15-11-14(8-4-1-5-9-14)10-13(17)16-12-6-2-3-7-12/h2-3,12H,1,4-11,15H2,(H,16,17)
InChIKeyDEFGXKBLGMOPMV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.12
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide (PubChem CID 113475297) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide
PubChem CID113475297
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide
SMILESNCC1(CC(=O)NC2CC=CC2)CCCCC1
InChIInChI=1S/C14H24N2O/c15-11-14(8-4-1-5-9-14)10-13(17)16-12-6-2-3-7-12/h2-3,12H,1,4-11,15H2,(H,16,17)
InChIKeyDEFGXKBLGMOPMV-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.12
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

(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
CID 162644302
(Z)-N-(4-methylcyclohexyl)octadec-9-enamide
CID 168296804
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
N,N-methylcyclohexyl linoleamide
CID 129716698
5-(Cyclohex-1-en-1-ylmethyl)-3-methylpyrrolidin-2-one
CID 133106800
N-cyclohexyl-2-cyclopent-2-en-1-ylacetamide
CID 42891783
N-tert-butyl-4-(1-methylcyclohex-2-en-1-yl)piperidine-4-carboxamide
CID 21061044
(E)-2-(cyclobutylmethyl)-N-propan-2-ylhex-4-enamide
CID 21366290
(E)-2-(cyclopentylmethyl)-N-propan-2-ylhex-4-enamide
CID 21366302
(E)-2-[(2-methylcyclopropyl)methyl]-N-propan-2-ylhex-4-enamide
CID 21366374
N-(3-aminopropyl)-2,2-dimethyloctadec-9-enamide
CID 53916975
N-cyclohexyl-2-methyloctadec-9-enamide
CID 54012954

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide (CID 113475297) is 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide is NCC1(CC(=O)NC2CC=CC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide?
The InChIKey is DEFGXKBLGMOPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-11-14(8-4-1-5-9-14)10-13(17)16-12-6-2-3-7-12/h2-3,12H,1,4-11,15H2,(H,16,17).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide has a molecular weight of 236.36 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-cyclopent-3-en-1-ylacetamide is sourced from PubChem (CID 113475297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).