1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide

C14H24N2O — CID 62045712

IUPAC1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
SMILESCCCC(CC)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-8-12(4-2)16-13(17)14(11-15)9-6-5-7-10-14/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyKKXAOYQYDLPXHR-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.16
Rot. Bonds5

About 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide

1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide (PubChem CID 62045712) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
PubChem CID62045712
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
SMILESCCCC(CC)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H24N2O/c1-3-8-12(4-2)16-13(17)14(11-15)9-6-5-7-10-14/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyKKXAOYQYDLPXHR-UHFFFAOYSA-N
XLogP3.16
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide (CID 62045712) is 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide is CCCC(CC)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide?
The InChIKey is KKXAOYQYDLPXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-8-12(4-2)16-13(17)14(11-15)9-6-5-7-10-14/h12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide?
1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 62045712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).