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

C6H10N2 — CID 123861871

IUPAC2-methylpent-4-ene-1,3-diimine
SMILES[H]/N=C/C(C)/C(C=C)=N/[H]
InChIInChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3-5,7-8H,1H2,2H3/b7-4+,8-6+
InChIKeyHRDIUGSKMQGSKO-IJYBVRAASA-N
MW110.16 g/mol
LogP1.48
Rot. Bonds3

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

2-methylpent-4-ene-1,3-diimine (PubChem CID 123861871) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-methylpent-4-ene-1,3-diimine.

Molecular Properties

Compound Name2-methylpent-4-ene-1,3-diimine
PubChem CID123861871
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-methylpent-4-ene-1,3-diimine
SMILES[H]/N=C/C(C)/C(C=C)=N/[H]
InChIInChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3-5,7-8H,1H2,2H3/b7-4+,8-6+
InChIKeyHRDIUGSKMQGSKO-IJYBVRAASA-N
XLogP1.48
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylpent-4-ene-1,3-diimine?
The IUPAC name of 2-methylpent-4-ene-1,3-diimine (CID 123861871) is 2-methylpent-4-ene-1,3-diimine.
What is the SMILES notation for 2-methylpent-4-ene-1,3-diimine?
The canonical SMILES for 2-methylpent-4-ene-1,3-diimine is [H]/N=C/C(C)/C(C=C)=N/[H].
What is the InChIKey of 2-methylpent-4-ene-1,3-diimine?
The InChIKey is HRDIUGSKMQGSKO-IJYBVRAASA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3-5,7-8H,1H2,2H3/b7-4+,8-6+.
What are the key properties of 2-methylpent-4-ene-1,3-diimine?
2-methylpent-4-ene-1,3-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-4-ene-1,3-diimine is sourced from PubChem (CID 123861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).