N-cyclohexylcyclohexanimine oxide

C12H21NO — CID 44520120

IUPACN-cyclohexylcyclohexanimine oxide
SMILES[O-][N+](=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H21NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11H,1-10H2
InChIKeyMUNOGIOVPIYOMF-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.23
Rot. Bonds1

About N-cyclohexylcyclohexanimine oxide

N-cyclohexylcyclohexanimine oxide (PubChem CID 44520120) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-cyclohexylcyclohexanimine oxide.

Molecular Properties

Compound NameN-cyclohexylcyclohexanimine oxide
PubChem CID44520120
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-cyclohexylcyclohexanimine oxide
SMILES[O-][N+](=C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H21NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11H,1-10H2
InChIKeyMUNOGIOVPIYOMF-UHFFFAOYSA-N
XLogP3.23
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-cyclohexylcyclohexanimine oxide 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 N-cyclohexylcyclohexanimine oxide?
The IUPAC name of N-cyclohexylcyclohexanimine oxide (CID 44520120) is N-cyclohexylcyclohexanimine oxide.
What is the SMILES notation for N-cyclohexylcyclohexanimine oxide?
The canonical SMILES for N-cyclohexylcyclohexanimine oxide is [O-][N+](=C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexylcyclohexanimine oxide?
The InChIKey is MUNOGIOVPIYOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11H,1-10H2.
What are the key properties of N-cyclohexylcyclohexanimine oxide?
N-cyclohexylcyclohexanimine oxide has a molecular weight of 195.31 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanimine oxide is sourced from PubChem (CID 44520120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).