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

C8H11N — CID 123782206

IUPAC6-methylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC(C)C1
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(9)6-7/h2-5,7,9H,6H2,1H3/b9-8+
InChIKeySPRMDZASUOWNCU-CMDGGOBGSA-N
MW121.18 g/mol
LogP2.16
Rot. Bonds

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

6-methylcyclohepta-2,4-dien-1-imine (PubChem CID 123782206) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 6-methylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name6-methylcyclohepta-2,4-dien-1-imine
PubChem CID123782206
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name6-methylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC(C)C1
InChIInChI=1S/C8H11N/c1-7-4-2-3-5-8(9)6-7/h2-5,7,9H,6H2,1H3/b9-8+
InChIKeySPRMDZASUOWNCU-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'}

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Related Compounds

1-Methyl-2-imino-3,5-cyclohexadiene
CID 14398589
1-Ethyl-2-imino-3,5-cyclohexadiene
CID 85894878
(5Z,7E)-8-fluoro-3-methylnona-5,7-dien-4-imine
CID 123873008
(4E,6Z)-2-methyl-4-(trifluoromethyl)octa-4,6-dien-3-imine
CID 174289820
(4E)-2-methyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 176962621
3-Imino-2-propan-2-ylcyclohepta-1,4,6-trien-1-amine
CID 91562471
2,4,6-Trimethylcyclohexa-2,4-dien-1-imine
CID 18538402
2-Tert-butylcyclohexa-2,4-dien-1-imine
CID 18786242
1-Cyclopenta-2,4-dien-1-ylethanimine
CID 57004377
6,6-Di(propan-2-yl)cyclohexa-2,4-dien-1-imine
CID 57034986
4a,8-Dihydrobenzo[7]annulen-7-imine
CID 57269660
2,6-Dimethylcyclohexa-2,4-dien-1-imine
CID 66847916

Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 6-methylcyclohepta-2,4-dien-1-imine (CID 123782206) is 6-methylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 6-methylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 6-methylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=CC=CC(C)C1.
What is the InChIKey of 6-methylcyclohepta-2,4-dien-1-imine?
The InChIKey is SPRMDZASUOWNCU-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-7-4-2-3-5-8(9)6-7/h2-5,7,9H,6H2,1H3/b9-8+.
What are the key properties of 6-methylcyclohepta-2,4-dien-1-imine?
6-methylcyclohepta-2,4-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 6-methylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123782206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).