2,6-dimethylcyclohex-2-en-1-imine

C8H13N — CID 123413356

IUPAC2,6-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C(C)=CCCC1C
InChIInChI=1S/C8H13N/c1-6-4-3-5-7(2)8(6)9/h4,7,9H,3,5H2,1-2H3/b9-8+
InChIKeyGENMIUVLQXMIRZ-CMDGGOBGSA-N
MW123.20 g/mol
LogP2.38
Rot. Bonds

About 2,6-dimethylcyclohex-2-en-1-imine

2,6-dimethylcyclohex-2-en-1-imine (PubChem CID 123413356) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2,6-dimethylcyclohex-2-en-1-imine.

Molecular Properties

Compound Name2,6-dimethylcyclohex-2-en-1-imine
PubChem CID123413356
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2,6-dimethylcyclohex-2-en-1-imine
SMILES[H]/N=C1\C(C)=CCCC1C
InChIInChI=1S/C8H13N/c1-6-4-3-5-7(2)8(6)9/h4,7,9H,3,5H2,1-2H3/b9-8+
InChIKeyGENMIUVLQXMIRZ-CMDGGOBGSA-N
XLogP2.38
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethylcyclohex-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

(1E)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one oxime
CID 5380452
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, oxime
CID 97028
[S-(E)]-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime
CID 7166699
Carvone oxime
CID 5373978
(R)-(-)-2-Methyl-5-isopropenyl-2-cyclohexen-1-one oxime
CID 7166700
3-Ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
CID 91340707
5-Methyl-4-(trifluoromethyl)cyclohex-3-en-1-imine
CID 123793559
1-(4-Fluorocyclohexa-2,4-dien-1-yl)butan-1-imine
CID 143588132
1-Cyclohexyl-imino-2-butene
CID 129765474
Carvone hydrazone
CID 129821701
(NZ)-N-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
CID 7340252
(E)-(A+/-)-2-methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
CID 7340253

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylcyclohex-2-en-1-imine?
The IUPAC name of 2,6-dimethylcyclohex-2-en-1-imine (CID 123413356) is 2,6-dimethylcyclohex-2-en-1-imine.
What is the SMILES notation for 2,6-dimethylcyclohex-2-en-1-imine?
The canonical SMILES for 2,6-dimethylcyclohex-2-en-1-imine is [H]/N=C1\C(C)=CCCC1C.
What is the InChIKey of 2,6-dimethylcyclohex-2-en-1-imine?
The InChIKey is GENMIUVLQXMIRZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H13N/c1-6-4-3-5-7(2)8(6)9/h4,7,9H,3,5H2,1-2H3/b9-8+.
What are the key properties of 2,6-dimethylcyclohex-2-en-1-imine?
2,6-dimethylcyclohex-2-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylcyclohex-2-en-1-imine is sourced from PubChem (CID 123413356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).