(2E)-2-amino-4-methylpenta-2,4-dienenitrile

C6H8N2 — CID 5370062

IUPAC(2E)-2-amino-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(/N)C#N
InChIInChI=1S/C6H8N2/c1-5(2)3-6(8)4-7/h3H,1,8H2,2H3/b6-3+
InChIKeyCICAOHPUYIXYIA-ZZXKWVIFSA-N
MW108.14 g/mol
LogP0.93
Rot. Bonds1

About (2E)-2-amino-4-methylpenta-2,4-dienenitrile

(2E)-2-amino-4-methylpenta-2,4-dienenitrile (PubChem CID 5370062) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (2E)-2-amino-4-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-2-amino-4-methylpenta-2,4-dienenitrile
PubChem CID5370062
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(2E)-2-amino-4-methylpenta-2,4-dienenitrile
SMILESC=C(C)/C=C(/N)C#N
InChIInChI=1S/C6H8N2/c1-5(2)3-6(8)4-7/h3H,1,8H2,2H3/b6-3+
InChIKeyCICAOHPUYIXYIA-ZZXKWVIFSA-N
XLogP0.93
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-2-amino-4-methylpenta-2,4-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-amino-4-methylpenta-2,4-dienenitrile?
The IUPAC name of (2E)-2-amino-4-methylpenta-2,4-dienenitrile (CID 5370062) is (2E)-2-amino-4-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E)-2-amino-4-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2E)-2-amino-4-methylpenta-2,4-dienenitrile is C=C(C)/C=C(/N)C#N.
What is the InChIKey of (2E)-2-amino-4-methylpenta-2,4-dienenitrile?
The InChIKey is CICAOHPUYIXYIA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H8N2/c1-5(2)3-6(8)4-7/h3H,1,8H2,2H3/b6-3+.
What are the key properties of (2E)-2-amino-4-methylpenta-2,4-dienenitrile?
(2E)-2-amino-4-methylpenta-2,4-dienenitrile has a molecular weight of 108.14 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-amino-4-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 5370062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).