N-cyclohexylpentan-1-imine oxide

C11H21NO — CID 134894744

IUPACN-cyclohexylpentan-1-imine oxide
SMILESCCCC/C=[N+](\[O-])C1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-7-10-12(13)11-8-5-4-6-9-11/h10-11H,2-9H2,1H3/b12-10-
InChIKeyLJKRWJSFHAQTKB-BENRWUELSA-N
MW183.29 g/mol
LogP3.09
Rot. Bonds4

About N-cyclohexylpentan-1-imine oxide

N-cyclohexylpentan-1-imine oxide (PubChem CID 134894744) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-cyclohexylpentan-1-imine oxide.

Molecular Properties

Compound NameN-cyclohexylpentan-1-imine oxide
PubChem CID134894744
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-cyclohexylpentan-1-imine oxide
SMILESCCCC/C=[N+](\[O-])C1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-7-10-12(13)11-8-5-4-6-9-11/h10-11H,2-9H2,1H3/b12-10-
InChIKeyLJKRWJSFHAQTKB-BENRWUELSA-N
XLogP3.09
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpentan-1-imine oxide?
The IUPAC name of N-cyclohexylpentan-1-imine oxide (CID 134894744) is N-cyclohexylpentan-1-imine oxide.
What is the SMILES notation for N-cyclohexylpentan-1-imine oxide?
The canonical SMILES for N-cyclohexylpentan-1-imine oxide is CCCC/C=[N+](\[O-])C1CCCCC1.
What is the InChIKey of N-cyclohexylpentan-1-imine oxide?
The InChIKey is LJKRWJSFHAQTKB-BENRWUELSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-7-10-12(13)11-8-5-4-6-9-11/h10-11H,2-9H2,1H3/b12-10-.
What are the key properties of N-cyclohexylpentan-1-imine oxide?
N-cyclohexylpentan-1-imine oxide has a molecular weight of 183.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpentan-1-imine oxide is sourced from PubChem (CID 134894744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).