3,4-dimethylpent-3-ene-1,2-diimine

C7H12N2 — CID 169195897

IUPAC3,4-dimethylpent-3-ene-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C(C)=C(C)C
InChIInChI=1S/C7H12N2/c1-5(2)6(3)7(9)4-8/h4,8-9H,1-3H3/b8-4+,9-7+
InChIKeyPOPPLVXPYIJQKZ-QDJBHUIFSA-N
MW124.19 g/mol
LogP2.01
Rot. Bonds2

About 3,4-dimethylpent-3-ene-1,2-diimine

3,4-dimethylpent-3-ene-1,2-diimine (PubChem CID 169195897) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3,4-dimethylpent-3-ene-1,2-diimine.

Molecular Properties

Compound Name3,4-dimethylpent-3-ene-1,2-diimine
PubChem CID169195897
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3,4-dimethylpent-3-ene-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C(C)=C(C)C
InChIInChI=1S/C7H12N2/c1-5(2)6(3)7(9)4-8/h4,8-9H,1-3H3/b8-4+,9-7+
InChIKeyPOPPLVXPYIJQKZ-QDJBHUIFSA-N
XLogP2.01
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Allyl-3-methylimidazo-lium chloride
CID 129724675
(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
CID 123197329
(E)-3-fluoro-2-methylpent-2-ene-1,4-diimine
CID 138494920
(E)-2-ethyl-3-fluorobut-2-ene-1,4-diimine
CID 170214303
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
(Z)-3-methanimidoylpent-2-en-2-amine
CID 89003598
(Z)-4-methanimidoylhex-3-en-3-amine
CID 89326848
3,4-Dimethylpent-3-en-2-imine
CID 91089455
2-Ethylidenebutane-1,3-diimine
CID 123159948
2,3-Dimethylpent-2-en-1-imine
CID 123320902
(2Z)-2-ethylidenebutane-1,3-diimine
CID 123645454

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylpent-3-ene-1,2-diimine?
The IUPAC name of 3,4-dimethylpent-3-ene-1,2-diimine (CID 169195897) is 3,4-dimethylpent-3-ene-1,2-diimine.
What is the SMILES notation for 3,4-dimethylpent-3-ene-1,2-diimine?
The canonical SMILES for 3,4-dimethylpent-3-ene-1,2-diimine is [H]/N=C(\C=N\[H])C(C)=C(C)C.
What is the InChIKey of 3,4-dimethylpent-3-ene-1,2-diimine?
The InChIKey is POPPLVXPYIJQKZ-QDJBHUIFSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)6(3)7(9)4-8/h4,8-9H,1-3H3/b8-4+,9-7+.
What are the key properties of 3,4-dimethylpent-3-ene-1,2-diimine?
3,4-dimethylpent-3-ene-1,2-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylpent-3-ene-1,2-diimine is sourced from PubChem (CID 169195897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).