4-hexyliminocyclohexan-1-one

C12H21NO — CID 57020745

IUPAC4-hexyliminocyclohexan-1-one
SMILESCCCCCCN=C1CCC(=O)CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h2-10H2,1H3
InChIKeyVLMJVCATILQHOL-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.15
Rot. Bonds5

About 4-hexyliminocyclohexan-1-one

4-hexyliminocyclohexan-1-one (PubChem CID 57020745) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-hexyliminocyclohexan-1-one.

Molecular Properties

Compound Name4-hexyliminocyclohexan-1-one
PubChem CID57020745
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-hexyliminocyclohexan-1-one
SMILESCCCCCCN=C1CCC(=O)CC1
InChIInChI=1S/C12H21NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h2-10H2,1H3
InChIKeyVLMJVCATILQHOL-UHFFFAOYSA-N
XLogP3.15
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hexyliminocyclohexan-1-one?
The IUPAC name of 4-hexyliminocyclohexan-1-one (CID 57020745) is 4-hexyliminocyclohexan-1-one.
What is the SMILES notation for 4-hexyliminocyclohexan-1-one?
The canonical SMILES for 4-hexyliminocyclohexan-1-one is CCCCCCN=C1CCC(=O)CC1.
What is the InChIKey of 4-hexyliminocyclohexan-1-one?
The InChIKey is VLMJVCATILQHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-5-10-13-11-6-8-12(14)9-7-11/h2-10H2,1H3.
What are the key properties of 4-hexyliminocyclohexan-1-one?
4-hexyliminocyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyliminocyclohexan-1-one is sourced from PubChem (CID 57020745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).