3-imino-4-methyl-2-propan-2-ylidenepentanenitrile

C9H14N2 — CID 143962859

IUPAC3-imino-4-methyl-2-propan-2-ylidenepentanenitrile
SMILES[H]/N=C(/C(C#N)=C(C)C)C(C)C
InChIInChI=1S/C9H14N2/c1-6(2)8(5-10)9(11)7(3)4/h7,11H,1-4H3/b11-9+
InChIKeyHCEJRCVQZKIEEU-PKNBQFBNSA-N
MW150.22 g/mol
LogP2.52
Rot. Bonds2

About 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile

3-imino-4-methyl-2-propan-2-ylidenepentanenitrile (PubChem CID 143962859) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile.

Molecular Properties

Compound Name3-imino-4-methyl-2-propan-2-ylidenepentanenitrile
PubChem CID143962859
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-imino-4-methyl-2-propan-2-ylidenepentanenitrile
SMILES[H]/N=C(/C(C#N)=C(C)C)C(C)C
InChIInChI=1S/C9H14N2/c1-6(2)8(5-10)9(11)7(3)4/h7,11H,1-4H3/b11-9+
InChIKeyHCEJRCVQZKIEEU-PKNBQFBNSA-N
XLogP2.52
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile 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-imino-4-methyl-2-propan-2-ylidenepentanenitrile?
The IUPAC name of 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile (CID 143962859) is 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile.
What is the SMILES notation for 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile?
The canonical SMILES for 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile is [H]/N=C(/C(C#N)=C(C)C)C(C)C.
What is the InChIKey of 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile?
The InChIKey is HCEJRCVQZKIEEU-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H14N2/c1-6(2)8(5-10)9(11)7(3)4/h7,11H,1-4H3/b11-9+.
What are the key properties of 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile?
3-imino-4-methyl-2-propan-2-ylidenepentanenitrile has a molecular weight of 150.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-methyl-2-propan-2-ylidenepentanenitrile is sourced from PubChem (CID 143962859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).