3-amino-4-methylpent-2-enenitrile

C6H10N2 — CID 73166374

IUPAC3-amino-4-methylpent-2-enenitrile
SMILESCC(C)C(N)=CC#N
InChIInChI=1S/C6H10N2/c1-5(2)6(8)3-4-7/h3,5H,8H2,1-2H3
InChIKeyDUDWHIZGKCRFIB-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.01
Rot. Bonds1

About 3-amino-4-methylpent-2-enenitrile

3-amino-4-methylpent-2-enenitrile (PubChem CID 73166374) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-amino-4-methylpent-2-enenitrile.

Molecular Properties

Compound Name3-amino-4-methylpent-2-enenitrile
PubChem CID73166374
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-amino-4-methylpent-2-enenitrile
SMILESCC(C)C(N)=CC#N
InChIInChI=1S/C6H10N2/c1-5(2)6(8)3-4-7/h3,5H,8H2,1-2H3
InChIKeyDUDWHIZGKCRFIB-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-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 3-amino-4-methylpent-2-enenitrile?
The IUPAC name of 3-amino-4-methylpent-2-enenitrile (CID 73166374) is 3-amino-4-methylpent-2-enenitrile.
What is the SMILES notation for 3-amino-4-methylpent-2-enenitrile?
The canonical SMILES for 3-amino-4-methylpent-2-enenitrile is CC(C)C(N)=CC#N.
What is the InChIKey of 3-amino-4-methylpent-2-enenitrile?
The InChIKey is DUDWHIZGKCRFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(2)6(8)3-4-7/h3,5H,8H2,1-2H3.
What are the key properties of 3-amino-4-methylpent-2-enenitrile?
3-amino-4-methylpent-2-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylpent-2-enenitrile is sourced from PubChem (CID 73166374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).