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

C8H11N — CID 91301963

IUPAC2-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCCC=C1C
InChIInChI=1S/C8H11N/c1-7-5-3-2-4-6-8(7)9/h4-6,9H,2-3H2,1H3/b9-8+
InChIKeyBYGDEZMFHIKGMU-CMDGGOBGSA-N
MW121.18 g/mol
LogP2.30
Rot. Bonds

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

2-methylcyclohepta-2,6-dien-1-imine (PubChem CID 91301963) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-methylcyclohepta-2,6-dien-1-imine.

Molecular Properties

Compound Name2-methylcyclohepta-2,6-dien-1-imine
PubChem CID91301963
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-methylcyclohepta-2,6-dien-1-imine
SMILES[H]/N=C1\C=CCCC=C1C
InChIInChI=1S/C8H11N/c1-7-5-3-2-4-6-8(7)9/h4-6,9H,2-3H2,1H3/b9-8+
InChIKeyBYGDEZMFHIKGMU-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
3-Ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
2-Fluoro-5-methylcyclohepta-2,6-dien-1-imine
CID 123756912
4-Fluoro-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 134381223
(5E,6Z)-5-ethylidene-8-fluoro-2-methylnona-2,6,8-trien-4-imine
CID 135254636
(3E,5E)-3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 144000603
(5E,7Z)-5-fluoro-4-methylidenenona-1,5,7-trien-3-imine
CID 155049266
(3Z,5E)-3-(fluoromethyl)-6-methylnona-3,5,8-trien-2-imine
CID 174316429
1-Ethyl-4-imino-2,5-cyclohexadiene
CID 129808996
4H-1,2-Diazepine, 3,5,7-trimethyl-
CID 585913

Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohepta-2,6-dien-1-imine?
The IUPAC name of 2-methylcyclohepta-2,6-dien-1-imine (CID 91301963) is 2-methylcyclohepta-2,6-dien-1-imine.
What is the SMILES notation for 2-methylcyclohepta-2,6-dien-1-imine?
The canonical SMILES for 2-methylcyclohepta-2,6-dien-1-imine is [H]/N=C1\C=CCCC=C1C.
What is the InChIKey of 2-methylcyclohepta-2,6-dien-1-imine?
The InChIKey is BYGDEZMFHIKGMU-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-7-5-3-2-4-6-8(7)9/h4-6,9H,2-3H2,1H3/b9-8+.
What are the key properties of 2-methylcyclohepta-2,6-dien-1-imine?
2-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 2-methylcyclohepta-2,6-dien-1-imine is sourced from PubChem (CID 91301963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).