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

C7H12N2 — CID 123282638

IUPAC1-N,2-N-dimethylpent-3-ene-1,2-diimine
SMILESCC=CC(/C=N/C)=N\C
InChIInChI=1S/C7H12N2/c1-4-5-7(9-3)6-8-2/h4-6H,1-3H3/b5-4?,8-6+,9-7+
InChIKeyOFOTYQUFGSKWKS-YFCGPUHTSA-N
MW124.19 g/mol
LogP1.33
Rot. Bonds2

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

1-N,2-N-dimethylpent-3-ene-1,2-diimine (PubChem CID 123282638) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-N,2-N-dimethylpent-3-ene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dimethylpent-3-ene-1,2-diimine
PubChem CID123282638
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-N,2-N-dimethylpent-3-ene-1,2-diimine
SMILESCC=CC(/C=N/C)=N\C
InChIInChI=1S/C7H12N2/c1-4-5-7(9-3)6-8-2/h4-6H,1-3H3/b5-4?,8-6+,9-7+
InChIKeyOFOTYQUFGSKWKS-YFCGPUHTSA-N
XLogP1.33
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
2-chloro-N-methylbut-2-en-1-imine
CID 123152056
(Z)-N-(methyliminomethyl)but-2-enamide
CID 126653439
(Z)-N,N'-dimethylbut-2-enimidamide
CID 58400962
(5Z)-N-ethenyl-2-methylhepta-2,5-dien-4-imine
CID 143053895
(E)-2-fluoro-N-methylbut-2-en-1-imine
CID 91188405
1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 118671214
(Z,1E)-N-ethenyl-1-hydrazinylidenepent-3-en-2-imine
CID 145103734
ethane;(Z)-2-methyliminopent-3-en-1-amine
CID 144600133
(2E,4Z,6E)-N,2-dimethylocta-2,4,6-trien-1-imine
CID 134195974
(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine
CID 91558483
(Z)-2-methyliminopent-3-enamide
CID 126689701

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylpent-3-ene-1,2-diimine?
The IUPAC name of 1-N,2-N-dimethylpent-3-ene-1,2-diimine (CID 123282638) is 1-N,2-N-dimethylpent-3-ene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dimethylpent-3-ene-1,2-diimine?
The canonical SMILES for 1-N,2-N-dimethylpent-3-ene-1,2-diimine is CC=CC(/C=N/C)=N\C.
What is the InChIKey of 1-N,2-N-dimethylpent-3-ene-1,2-diimine?
The InChIKey is OFOTYQUFGSKWKS-YFCGPUHTSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-5-7(9-3)6-8-2/h4-6H,1-3H3/b5-4?,8-6+,9-7+.
What are the key properties of 1-N,2-N-dimethylpent-3-ene-1,2-diimine?
1-N,2-N-dimethylpent-3-ene-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylpent-3-ene-1,2-diimine is sourced from PubChem (CID 123282638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).