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

C15H26N2O — CID 104678350

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide
SMILESNCC1(CC(=O)NC2CC=CCC2)CCCCC1
InChIInChI=1S/C15H26N2O/c16-12-15(9-5-2-6-10-15)11-14(18)17-13-7-3-1-4-8-13/h1,3,13H,2,4-12,16H2,(H,17,18)
InChIKeyQKSNFXIGHVIVPA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds4

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

2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide (PubChem CID 104678350) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide
PubChem CID104678350
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide
SMILESNCC1(CC(=O)NC2CC=CCC2)CCCCC1
InChIInChI=1S/C15H26N2O/c16-12-15(9-5-2-6-10-15)11-14(18)17-13-7-3-1-4-8-13/h1,3,13H,2,4-12,16H2,(H,17,18)
InChIKeyQKSNFXIGHVIVPA-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
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
(9Z,12Z)-N-[1-(1-adamantyl)ethyl]octadeca-9,12-dienamide
CID 162645858
(Z)-N-(4-methylcyclohexyl)octadec-9-enamide
CID 168296804
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
N-cyclohexyl-2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)acetamide
CID 101897235
N,N-methylcyclohexyl linoleamide
CID 129716698
2-N,3-N-di(propan-2-yl)bicyclo[2.2.2]oct-5-ene-2,3-dicarboxamide
CID 428705
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclohexane-1-carboxamide
CID 47072720
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide (CID 104678350) is 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide is NCC1(CC(=O)NC2CC=CCC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide?
The InChIKey is QKSNFXIGHVIVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c16-12-15(9-5-2-6-10-15)11-14(18)17-13-7-3-1-4-8-13/h1,3,13H,2,4-12,16H2,(H,17,18).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-cyclohex-3-en-1-ylacetamide has a molecular weight of 250.39 g/mol, XLogP of 2.51, 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-cyclohex-3-en-1-ylacetamide is sourced from PubChem (CID 104678350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).