(E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine

C7H12N2 — CID 123605241

IUPAC(E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine
SMILESC/C=C/C(/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-WUJFNTSISA-N
MW124.19 g/mol
LogP1.33
Rot. Bonds2

About (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine

(E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine (PubChem CID 123605241) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine.

Molecular Properties

Compound Name(E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine
PubChem CID123605241
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine
SMILESC/C=C/C(/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-WUJFNTSISA-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

2-Methyl-2,3-dihydropyridine
CID 21652564
6-Ethyl-2,3-dihydropyridine
CID 58693567
3-fluoro-N-methyl-2H-pyridin-5-imine
CID 123433010
N-ethyl-1-(2-fluoropyrrol-2-yl)methanimine
CID 89251952
1-(2-fluoropyrrol-2-yl)-N-methylmethanimine
CID 89252040
N-methylpent-3-en-2-imine
CID 15325554
N-butyl-2H-pyridin-3-imine
CID 19388629
5-ethyl-2H-pyrrole
CID 20725724
3-Iminopyridine
CID 21332821
N-ethylpent-2-en-1-imine
CID 53685601
6-Methyl-2,3-dihydropyridine
CID 53833017
N-propylpent-2-en-1-imine
CID 57277336

Frequently Asked Questions

What is the IUPAC name of (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine?
The IUPAC name of (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine (CID 123605241) is (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine.
What is the SMILES notation for (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine?
The canonical SMILES for (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine is C/C=C/C(/C=N/C)=N\C.
What is the InChIKey of (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine?
The InChIKey is OFOTYQUFGSKWKS-WUJFNTSISA-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 (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine?
(E)-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 (E)-1-N,2-N-dimethylpent-3-ene-1,2-diimine is sourced from PubChem (CID 123605241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).