4-methylpent-4-ene-2,3-diimine

C6H10N2 — CID 142085216

IUPAC4-methylpent-4-ene-2,3-diimine
SMILES[H]/N=C(C)/C(=N/[H])C(=C)C
InChIInChI=1S/C6H10N2/c1-4(2)6(8)5(3)7/h7-8H,1H2,2-3H3/b7-5+,8-6+
InChIKeyDMYVYAAGGFUNOI-KQQUZDAGSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds2

About 4-methylpent-4-ene-2,3-diimine

4-methylpent-4-ene-2,3-diimine (PubChem CID 142085216) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-methylpent-4-ene-2,3-diimine.

Molecular Properties

Compound Name4-methylpent-4-ene-2,3-diimine
PubChem CID142085216
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name4-methylpent-4-ene-2,3-diimine
SMILES[H]/N=C(C)/C(=N/[H])C(=C)C
InChIInChI=1S/C6H10N2/c1-4(2)6(8)5(3)7/h7-8H,1H2,2-3H3/b7-5+,8-6+
InChIKeyDMYVYAAGGFUNOI-KQQUZDAGSA-N
XLogP1.62
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-4-ene-2,3-diimine?
The IUPAC name of 4-methylpent-4-ene-2,3-diimine (CID 142085216) is 4-methylpent-4-ene-2,3-diimine.
What is the SMILES notation for 4-methylpent-4-ene-2,3-diimine?
The canonical SMILES for 4-methylpent-4-ene-2,3-diimine is [H]/N=C(C)/C(=N/[H])C(=C)C.
What is the InChIKey of 4-methylpent-4-ene-2,3-diimine?
The InChIKey is DMYVYAAGGFUNOI-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H10N2/c1-4(2)6(8)5(3)7/h7-8H,1H2,2-3H3/b7-5+,8-6+.
What are the key properties of 4-methylpent-4-ene-2,3-diimine?
4-methylpent-4-ene-2,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-4-ene-2,3-diimine is sourced from PubChem (CID 142085216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).