4-methylcyclohepta-2,6-dien-1-imine

C8H11N — CID 123434300

IUPAC4-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)C=C1
InChIInChI=1S/C8H11N/c1-7-3-2-4-8(9)6-5-7/h2,4-7,9H,3H2,1H3/b9-8+
InChIKeyFIPHUBXZWIFFOP-CMDGGOBGSA-N
MW121.18 g/mol
LogP2.16
Rot. Bonds

About 4-methylcyclohepta-2,6-dien-1-imine

4-methylcyclohepta-2,6-dien-1-imine (PubChem CID 123434300) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 4-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name4-methylcyclohepta-2,6-dien-1-imine
PubChem CID123434300
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name4-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCC(C)C=C1
InChIInChI=1S/C8H11N/c1-7-3-2-4-8(9)6-5-7/h2,4-7,9H,3H2,1H3/b9-8+
InChIKeyFIPHUBXZWIFFOP-CMDGGOBGSA-N
XLogP2.16
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methylcyclohepta-2,6-dien-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

2-ethyl-4-methylcyclohepta-2,6-dien-1-imine
CID 123572930
(4-methylcyclohexa-1,5-dien-1-yl)diazene
CID 142980862
3-methylcyclobutene;sulfane
CID 90110313
4,4-dimethylcyclohepta-2,6-dien-1-imine
CID 91362255
2-chloro-6-methylcyclohexa-1,3-diene
CID 12828163
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
(1Z,5E,9E)-3-methylcyclododeca-1,5,9-triene
CID 5352590
(1E,5E,9E)-3-methylcyclododeca-1,5,9-triene
CID 5352569
3-but-2-en-2-yl-8-methylcycloocta-1,3,5-triene
CID 123382258
(4R)-4-methylcyclohexa-1,5-diene-1-carbaldehyde
CID 89362390
1,6-dimethylcyclodeca-1,3,7-triene
CID 91114782

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 4-methylcyclohepta-2,6-dien-1-imine (CID 123434300) is 4-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 4-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 4-methylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCC(C)C=C1.
What is the InChIKey of 4-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is FIPHUBXZWIFFOP-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-7-3-2-4-8(9)6-5-7/h2,4-7,9H,3H2,1H3/b9-8+.
What are the key properties of 4-methylcyclohepta-2,6-dien-1-imine?
4-methylcyclohepta-2,6-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 123434300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).