3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine

C14H19N — CID 91281706

IUPAC3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\C2C=CC=C(C)C2)CCC1
InChIInChI=1S/C14H19N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3,5,7,10,13H,4,6,8-9H2,1-2H3/b15-14-
InChIKeyWVVFGNHAIJOSLR-PFONDFGASA-N
MW201.31 g/mol
LogP3.83
Rot. Bonds1

About 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine

3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine (PubChem CID 91281706) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
PubChem CID91281706
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine
SMILESCC1=C/C(=N\C2C=CC=C(C)C2)CCC1
InChIInChI=1S/C14H19N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3,5,7,10,13H,4,6,8-9H2,1-2H3/b15-14-
InChIKeyWVVFGNHAIJOSLR-PFONDFGASA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine 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

6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
4-Methyl-2,3-dihydroquinoline
CID 68274032
5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-propyl-2H-pyrrole
CID 170067974
1-(cyclohexen-1-yl)-N-cyclohexylethanimine
CID 11148422
1-(cyclohexen-1-yl)-N-cyclohexylpropan-1-imine
CID 86006548
(2R)-7-butyl-2-methyl-2H-azepine
CID 134989384
2,3,4,9a-tetrahydro-1H-carbazole;rhodium
CID 166447454
(2Z,4Z)-1-(4-fluorocyclohexa-1,3-dien-1-yl)-N-propan-2-ylhepta-2,4-dien-1-imine
CID 153399315
2-Butyl-3-methyl-4a,8a-dihydroquinoxaline
CID 21014290
2,8-Dihydroquinoline
CID 53423727
2-Methyl-3,5,8,8a-tetrahydroquinoline
CID 53954316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
The IUPAC name of 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine (CID 91281706) is 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine.
What is the SMILES notation for 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
The canonical SMILES for 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine is CC1=C/C(=N\C2C=CC=C(C)C2)CCC1.
What is the InChIKey of 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
The InChIKey is WVVFGNHAIJOSLR-PFONDFGASA-N. The full InChI is InChI=1S/C14H19N/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14/h3,5,7,10,13H,4,6,8-9H2,1-2H3/b15-14-.
What are the key properties of 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine?
3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine has a molecular weight of 201.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-en-1-imine is sourced from PubChem (CID 91281706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).