1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide

C14H22N2O — CID 61461623

IUPAC1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2O/c1-4-16(10-12(2)3)13(17)14(11-15)8-6-5-7-9-14/h2,4-10H2,1,3H3
InChIKeyPDJVKPFUPMAACU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.89
Rot. Bonds4

About 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide

1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide (PubChem CID 61461623) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
PubChem CID61461623
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide
SMILESC=C(C)CN(CC)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2O/c1-4-16(10-12(2)3)13(17)14(11-15)8-6-5-7-9-14/h2,4-10H2,1,3H3
InChIKeyPDJVKPFUPMAACU-UHFFFAOYSA-N
XLogP2.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide (CID 61461623) is 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide is C=C(C)CN(CC)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
The InChIKey is PDJVKPFUPMAACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(10-12(2)3)13(17)14(11-15)8-6-5-7-9-14/h2,4-10H2,1,3H3.
What are the key properties of 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide?
1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-ethyl-N-(2-methylprop-2-enyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 61461623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).