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'}

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Related Compounds

N-[(3E,5E)-5-(4,5-diethylcyclohexa-1,5-dien-1-yl)-3-fluoro-6,7-dimethylocta-1,3,5,7-tetraen-2-yl]methanimine
CID 155297891
N-(2-methylcyclohexa-1,5-dien-1-yl)methanimine
CID 89001015
N-(2,4,5-trimethylcyclohexa-1,3-dien-1-yl)methanimine
CID 90266728
N-(6-ethyl-8-methyl-4-prop-2-enylidenepentadeca-2,5-dien-3-yl)methanimine
CID 123310652
N-[1-(6-but-1-en-2-yl-6-methylcyclohexa-1,3-dien-1-yl)ethenyl]methanimine
CID 123335015
N-(8-methyl-6-methylidenenona-2,4,8-trien-3-yl)methanimine
CID 123351664
N-(2,3-dimethylcyclohepta-1,6-dien-1-yl)methanimine
CID 123478687
N-(2,3-dimethylcyclohexa-1,5-dien-1-yl)propan-1-imine
CID 123784681
N-(4-ethyl-2-methylcyclohexa-1,5-dien-1-yl)butan-1-imine
CID 124013525
N-[2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]methanimine
CID 126636256
N-[(Z)-4-ethenyl-6-ethyldec-4-en-5-yl]methanimine
CID 130183308
N-[(2Z,4Z)-9-methyldeca-2,4-dien-5-yl]methanimine
CID 130437085

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).