3-amino-2-methylpent-2-enenitrile

C6H10N2 — CID 71354199

IUPAC3-amino-2-methylpent-2-enenitrile
SMILESCCC(N)=C(C)C#N
InChIInChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3,8H2,1-2H3
InChIKeyVPFGWBGYONWGNJ-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.15
Rot. Bonds1

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

3-amino-2-methylpent-2-enenitrile (PubChem CID 71354199) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-amino-2-methylpent-2-enenitrile.

Molecular Properties

Compound Name3-amino-2-methylpent-2-enenitrile
PubChem CID71354199
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-amino-2-methylpent-2-enenitrile
SMILESCCC(N)=C(C)C#N
InChIInChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3,8H2,1-2H3
InChIKeyVPFGWBGYONWGNJ-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-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-2-methylpent-2-enenitrile?
The IUPAC name of 3-amino-2-methylpent-2-enenitrile (CID 71354199) is 3-amino-2-methylpent-2-enenitrile.
What is the SMILES notation for 3-amino-2-methylpent-2-enenitrile?
The canonical SMILES for 3-amino-2-methylpent-2-enenitrile is CCC(N)=C(C)C#N.
What is the InChIKey of 3-amino-2-methylpent-2-enenitrile?
The InChIKey is VPFGWBGYONWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-6(8)5(2)4-7/h3,8H2,1-2H3.
What are the key properties of 3-amino-2-methylpent-2-enenitrile?
3-amino-2-methylpent-2-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpent-2-enenitrile is sourced from PubChem (CID 71354199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).