1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine

C8H10N2 — CID 18724211

IUPAC1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILESC/N=C1\C=CC=C\C1=N/C
InChIInChI=1S/C8H10N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/b9-7+,10-8+
InChIKeyMVGCGESZVWTQQB-FIFLTTCUSA-N
MW134.18 g/mol
LogP1.25
Rot. Bonds

About 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine

1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine (PubChem CID 18724211) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
PubChem CID18724211
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
SMILESC/N=C1\C=CC=C\C1=N/C
InChIInChI=1S/C8H10N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/b9-7+,10-8+
InChIKeyMVGCGESZVWTQQB-FIFLTTCUSA-N
XLogP1.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
2H-benzimidazole
CID 9548684
2,2-Dimethyl-2H-benzimidazole
CID 11435022
Dimethyl 1,4-benzoquinone diimine
CID 18730289
2,3-Dihydro-quinoxaline
CID 21885942
6-Ethyl-2,3-dihydropyridine
CID 58693567
2-fluoro-N-prop-2-enylcyclohexa-2,4-dien-1-imine
CID 67831161
N-tert-butyl-6-fluorocyclohexa-2,4-dien-1-imine
CID 69577422
N-tert-butyl-2-fluorocyclohexa-2,4-dien-1-imine
CID 69577423
4-fluoro-2-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 144276613
4-fluoro-1-N-methylcyclohexa-3,5-diene-1,2-diimine
CID 144636023
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine (CID 18724211) is 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine is C/N=C1\C=CC=C\C1=N/C.
What is the InChIKey of 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
The InChIKey is MVGCGESZVWTQQB-FIFLTTCUSA-N. The full InChI is InChI=1S/C8H10N2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3/b9-7+,10-8+.
What are the key properties of 1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine?
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine has a molecular weight of 134.18 g/mol, XLogP of 1.25, 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-dimethylcyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 18724211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).