2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide

C13H20N2O — CID 55028534

IUPAC2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H20N2O/c1-13(2,10-14)12(16)15-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3,(H,15,16)
InChIKeyLILUAKFHTFBKHD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.54
Rot. Bonds4

About 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide

2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide (PubChem CID 55028534) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
PubChem CID55028534
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H20N2O/c1-13(2,10-14)12(16)15-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3,(H,15,16)
InChIKeyLILUAKFHTFBKHD-UHFFFAOYSA-N
XLogP2.54
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(cyclohexen-1-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264692
2-cyano-N-[2-(cyclopenten-1-yl)ethyl]-2-propylpentanamide
CID 106173529
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108959319
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenyl)-2-methylpropanamide
CID 113197335
N-butan-2-yl-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108958156
1-cyano-N-[2-(cyclohexen-1-yl)ethyl]cyclobutane-1-carboxamide
CID 78994819
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437770
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010
N-(4-chlorophenyl)-N'-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethylpropanediamide
CID 108959378

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide (CID 55028534) is 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide is CC(C)(C#N)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide?
The InChIKey is LILUAKFHTFBKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,10-14)12(16)15-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide?
2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(cyclohexen-1-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 55028534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).