1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine

C8H12N2 — CID 123358178

IUPAC1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine
SMILESC/N=C1\C=CCC\C1=N/C
InChIInChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3,5H,4,6H2,1-2H3/b9-7+,10-8+
InChIKeyHWUSWDRPLXZCAZ-FIFLTTCUSA-N
MW136.20 g/mol
LogP1.48
Rot. Bonds

About 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine

1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine (PubChem CID 123358178) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine
PubChem CID123358178
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine
SMILESC/N=C1\C=CCC\C1=N/C
InChIInChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3,5H,4,6H2,1-2H3/b9-7+,10-8+
InChIKeyHWUSWDRPLXZCAZ-FIFLTTCUSA-N
XLogP1.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine 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

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
N-[(E)-cyclohex-2-en-1-ylideneamino]-N-methylmethanamine
CID 12469004
Dimethyl 1,4-benzoquinone diimine
CID 18730289
6-Ethyl-2,3-dihydropyridine
CID 58693567
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
Cyclohex-2-en-1-ylidene(methyl)azanium
CID 135031019
6-Penta-1,3-dienyl-2,3,4,5-tetrahydropyridine
CID 198319
N-methylcyclohexa-2,4-dien-1-imine
CID 14398595
1-N,4-N-diethylcyclohexa-2,5-diene-1,4-diimine
CID 15936105

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine?
The IUPAC name of 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine (CID 123358178) is 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine?
The canonical SMILES for 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine is C/N=C1\C=CCC\C1=N/C.
What is the InChIKey of 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine?
The InChIKey is HWUSWDRPLXZCAZ-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H12N2/c1-9-7-5-3-4-6-8(7)10-2/h3,5H,4,6H2,1-2H3/b9-7+,10-8+.
What are the key properties of 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine?
1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine has a molecular weight of 136.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 123358178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).