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

C8H11N — CID 90847847

IUPAC3-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCCC(C)=C1
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(9)6-7/h3,5-6,9H,2,4H2,1H3/b9-8+
InChIKeyWGUZAAOCTADBTL-CMDGGOBGSA-N
MW121.18 g/mol
LogP2.30
Rot. Bonds

About 3-methylcyclohepta-2,6-dien-1-imine

3-methylcyclohepta-2,6-dien-1-imine (PubChem CID 90847847) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name3-methylcyclohepta-2,6-dien-1-imine
PubChem CID90847847
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCCC(C)=C1
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(9)6-7/h3,5-6,9H,2,4H2,1H3/b9-8+
InChIKeyWGUZAAOCTADBTL-CMDGGOBGSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
3-Methyl-2-cyclopentenimine
CID 91232431
Dibenzocycloheptenimin
CID 129628903
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
4H-1,2-Diazepine, 3,5,7-trimethyl-
CID 585913
1-Cyclopenta-1,3-dien-1-ylethanimine
CID 12554024
2-Ethylidenecyclohexan-1-imine
CID 14026307
5-Methylcyclohexa-2,4-dien-1-imine
CID 14398591
2,4-Dimethylcyclohexa-2,4-dien-1-imine
CID 17812233
(2E)-2-ethylidenecyclohexan-1-imine
CID 20159053
(E)-hept-2-en-4-imine
CID 20315733

Frequently Asked Questions

What is the IUPAC name of 3-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 3-methylcyclohepta-2,6-dien-1-imine (CID 90847847) is 3-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 3-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 3-methylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCCC(C)=C1.
What is the InChIKey of 3-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is WGUZAAOCTADBTL-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-7-4-2-3-5-8(9)6-7/h3,5-6,9H,2,4H2,1H3/b9-8+.
What are the key properties of 3-methylcyclohepta-2,6-dien-1-imine?
3-methylcyclohepta-2,6-dien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 90847847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).