N-cyclohexyl-4-methylpent-3-en-2-imine oxide

C12H21NO — CID 134998216

IUPACN-cyclohexyl-4-methylpent-3-en-2-imine oxide
SMILESCC(C)=C/C(C)=[N+](\[O-])C1CCCCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-11(3)13(14)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3/b13-11-
InChIKeyNRZHLDGRVGCJGG-QBFSEMIESA-N
MW195.31 g/mol
LogP3.26
Rot. Bonds2

About N-cyclohexyl-4-methylpent-3-en-2-imine oxide

N-cyclohexyl-4-methylpent-3-en-2-imine oxide (PubChem CID 134998216) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-cyclohexyl-4-methylpent-3-en-2-imine oxide.

Molecular Properties

Compound NameN-cyclohexyl-4-methylpent-3-en-2-imine oxide
PubChem CID134998216
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-cyclohexyl-4-methylpent-3-en-2-imine oxide
SMILESCC(C)=C/C(C)=[N+](\[O-])C1CCCCC1
InChIInChI=1S/C12H21NO/c1-10(2)9-11(3)13(14)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3/b13-11-
InChIKeyNRZHLDGRVGCJGG-QBFSEMIESA-N
XLogP3.26
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.26
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-cyclohexyl-4-methylpent-3-en-2-imine oxide with MolForge

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

Launch Full Analysis

Related Compounds

N-hexylcyclohex-2-en-1-imine oxide
CID 44519933
N-cyclohexylcyclohex-2-en-1-imine oxide
CID 44520122
N-cyclohexyl-6-methylhept-5-en-2-imine
CID 11009116
(Z)-N-cyclohexyl-3-methylpent-3-en-2-imine
CID 123345016
N-cyclohexylpent-3-en-2-imine
CID 174297228
(2Z)-N-cyclohexyl-2-(2-methylcyclohex-2-en-1-ylidene)ethanimine oxide
CID 5370834
N-cyclohexylcyclohex-2-en-1-imine oxide
CID 5374503
N-cyclohexyl-4-methylpent-3-en-2-imine
CID 15564955
(2E)-N-cyclohexyl-2-(2-methylcyclohex-2-en-1-ylidene)ethanimine oxide
CID 21160446
N-cyclohexyl-4-methylpent-3-en-2-imine oxide
CID 44520123
(3E)-N-Cyclohexyl-5-methylhept-4-en-3-imine
CID 71397399
(3E)-N-Cyclohexyl-5-methylhept-5-en-3-imine
CID 71397415

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methylpent-3-en-2-imine oxide?
The IUPAC name of N-cyclohexyl-4-methylpent-3-en-2-imine oxide (CID 134998216) is N-cyclohexyl-4-methylpent-3-en-2-imine oxide.
What is the SMILES notation for N-cyclohexyl-4-methylpent-3-en-2-imine oxide?
The canonical SMILES for N-cyclohexyl-4-methylpent-3-en-2-imine oxide is CC(C)=C/C(C)=[N+](\[O-])C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-methylpent-3-en-2-imine oxide?
The InChIKey is NRZHLDGRVGCJGG-QBFSEMIESA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)9-11(3)13(14)12-7-5-4-6-8-12/h9,12H,4-8H2,1-3H3/b13-11-.
What are the key properties of N-cyclohexyl-4-methylpent-3-en-2-imine oxide?
N-cyclohexyl-4-methylpent-3-en-2-imine oxide has a molecular weight of 195.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methylpent-3-en-2-imine oxide is sourced from PubChem (CID 134998216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).