(E)-4-amino-4-methylpent-2-enenitrile

C6H10N2 — CID 55291401

IUPAC(E)-4-amino-4-methylpent-2-enenitrile
SMILESCC(C)(N)/C=C/C#N
InChIInChI=1S/C6H10N2/c1-6(2,8)4-3-5-7/h3-4H,8H2,1-2H3/b4-3+
InChIKeyOTUPSZYUYMWPLJ-ONEGZZNKSA-N
MW110.16 g/mol
LogP0.80
Rot. Bonds1

About (E)-4-amino-4-methylpent-2-enenitrile

(E)-4-amino-4-methylpent-2-enenitrile (PubChem CID 55291401) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (E)-4-amino-4-methylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-4-amino-4-methylpent-2-enenitrile
PubChem CID55291401
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(E)-4-amino-4-methylpent-2-enenitrile
SMILESCC(C)(N)/C=C/C#N
InChIInChI=1S/C6H10N2/c1-6(2,8)4-3-5-7/h3-4H,8H2,1-2H3/b4-3+
InChIKeyOTUPSZYUYMWPLJ-ONEGZZNKSA-N
XLogP0.80
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-amino-4-methylpent-2-enenitrile 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 (E)-4-amino-4-methylpent-2-enenitrile?
The IUPAC name of (E)-4-amino-4-methylpent-2-enenitrile (CID 55291401) is (E)-4-amino-4-methylpent-2-enenitrile.
What is the SMILES notation for (E)-4-amino-4-methylpent-2-enenitrile?
The canonical SMILES for (E)-4-amino-4-methylpent-2-enenitrile is CC(C)(N)/C=C/C#N.
What is the InChIKey of (E)-4-amino-4-methylpent-2-enenitrile?
The InChIKey is OTUPSZYUYMWPLJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2,8)4-3-5-7/h3-4H,8H2,1-2H3/b4-3+.
What are the key properties of (E)-4-amino-4-methylpent-2-enenitrile?
(E)-4-amino-4-methylpent-2-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-amino-4-methylpent-2-enenitrile is sourced from PubChem (CID 55291401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).