6-hexyl-N-methylcyclohexene-1-carboxamide

C14H25NO — CID 12587289

IUPAC6-hexyl-N-methylcyclohexene-1-carboxamide
SMILESCCCCCCC1CCCC=C1C(=O)NC
InChIInChI=1S/C14H25NO/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(16)15-2/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyQPJXQXXAXMBDEF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.43
Rot. Bonds6

About 6-hexyl-N-methylcyclohexene-1-carboxamide

6-hexyl-N-methylcyclohexene-1-carboxamide (PubChem CID 12587289) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 6-hexyl-N-methylcyclohexene-1-carboxamide.

Molecular Properties

Compound Name6-hexyl-N-methylcyclohexene-1-carboxamide
PubChem CID12587289
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name6-hexyl-N-methylcyclohexene-1-carboxamide
SMILESCCCCCCC1CCCC=C1C(=O)NC
InChIInChI=1S/C14H25NO/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(16)15-2/h11-12H,3-10H2,1-2H3,(H,15,16)
InChIKeyQPJXQXXAXMBDEF-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hexyl-N-methylcyclohexene-1-carboxamide?
The IUPAC name of 6-hexyl-N-methylcyclohexene-1-carboxamide (CID 12587289) is 6-hexyl-N-methylcyclohexene-1-carboxamide.
What is the SMILES notation for 6-hexyl-N-methylcyclohexene-1-carboxamide?
The canonical SMILES for 6-hexyl-N-methylcyclohexene-1-carboxamide is CCCCCCC1CCCC=C1C(=O)NC.
What is the InChIKey of 6-hexyl-N-methylcyclohexene-1-carboxamide?
The InChIKey is QPJXQXXAXMBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-9-12-10-7-8-11-13(12)14(16)15-2/h11-12H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 6-hexyl-N-methylcyclohexene-1-carboxamide?
6-hexyl-N-methylcyclohexene-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-N-methylcyclohexene-1-carboxamide is sourced from PubChem (CID 12587289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).