2-amino-4-methylhept-4-enenitrile

C8H14N2 — CID 123469163

IUPAC2-amino-4-methylhept-4-enenitrile
SMILESCCC=C(C)CC(N)C#N
InChIInChI=1S/C8H14N2/c1-3-4-7(2)5-8(10)6-9/h4,8H,3,5,10H2,1-2H3
InChIKeyPZHVWQKLTRWPJK-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.58
Rot. Bonds3

About 2-amino-4-methylhept-4-enenitrile

2-amino-4-methylhept-4-enenitrile (PubChem CID 123469163) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-amino-4-methylhept-4-enenitrile.

Molecular Properties

Compound Name2-amino-4-methylhept-4-enenitrile
PubChem CID123469163
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-amino-4-methylhept-4-enenitrile
SMILESCCC=C(C)CC(N)C#N
InChIInChI=1S/C8H14N2/c1-3-4-7(2)5-8(10)6-9/h4,8H,3,5,10H2,1-2H3
InChIKeyPZHVWQKLTRWPJK-UHFFFAOYSA-N
XLogP1.58
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-methylhept-4-enenitrile with MolForge

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

Launch Full Analysis

Related Compounds

6-Methylhept-5-en-2-amine, (+-)-
CID 31179
(2R)-6-Methyl-5-hepten-2-amine
CID 46919417
(2S)-6-Methyl-5-hepten-2-amine
CID 55281353
2-Amino-4-methylpent-3-enenitrile
CID 14425423
6-Methylhept-5-ene-2,3-diamine
CID 18380626
2-Amino-6-methylhept-5-enenitrile
CID 18680220
2-Amino-3-(cyclohexen-1-yl)propanenitrile
CID 23042608
(E)-4-methylhex-4-en-2-amine
CID 55254133
4-Methylhex-4-en-2-amine
CID 76219094
4-Methylhept-4-en-2-amine
CID 76219095
2-Amino-5-methylhept-4-enenitrile
CID 88076253
(E,2E)-5-amino-2-ethylidene-4-methylhept-3-enedinitrile
CID 126663516

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylhept-4-enenitrile?
The IUPAC name of 2-amino-4-methylhept-4-enenitrile (CID 123469163) is 2-amino-4-methylhept-4-enenitrile.
What is the SMILES notation for 2-amino-4-methylhept-4-enenitrile?
The canonical SMILES for 2-amino-4-methylhept-4-enenitrile is CCC=C(C)CC(N)C#N.
What is the InChIKey of 2-amino-4-methylhept-4-enenitrile?
The InChIKey is PZHVWQKLTRWPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-7(2)5-8(10)6-9/h4,8H,3,5,10H2,1-2H3.
What are the key properties of 2-amino-4-methylhept-4-enenitrile?
2-amino-4-methylhept-4-enenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylhept-4-enenitrile is sourced from PubChem (CID 123469163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).