N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine

C13H19N — CID 134172267

IUPACN-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
SMILESC=CC1=C(N=C)C=CCC1CC(C)C
InChIInChI=1S/C13H19N/c1-5-12-11(9-10(2)3)7-6-8-13(12)14-4/h5-6,8,10-11H,1,4,7,9H2,2-3H3
InChIKeyOOAVVCRIRSBFQB-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.75
Rot. Bonds4

About N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine

N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine (PubChem CID 134172267) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
PubChem CID134172267
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine
SMILESC=CC1=C(N=C)C=CCC1CC(C)C
InChIInChI=1S/C13H19N/c1-5-12-11(9-10(2)3)7-6-8-13(12)14-4/h5-6,8,10-11H,1,4,7,9H2,2-3H3
InChIKeyOOAVVCRIRSBFQB-UHFFFAOYSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine 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-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine?
The IUPAC name of N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine (CID 134172267) is N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine.
What is the SMILES notation for N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine?
The canonical SMILES for N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine is C=CC1=C(N=C)C=CCC1CC(C)C.
What is the InChIKey of N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine?
The InChIKey is OOAVVCRIRSBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-5-12-11(9-10(2)3)7-6-8-13(12)14-4/h5-6,8,10-11H,1,4,7,9H2,2-3H3.
What are the key properties of N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine?
N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine has a molecular weight of 189.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethenyl-3-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]methanimine is sourced from PubChem (CID 134172267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).