(2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane

C10H19N3 — CID 143962851

IUPAC(2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane
SMILESCC.[H]/N=C(C(/C#N)=C(/C)N)\C(C)C
InChIInChI=1S/C8H13N3.C2H6/c1-5(2)8(11)7(4-9)6(3)10;1-2/h5,11H,10H2,1-3H3;1-2H3/b7-6-,11-8+;
InChIKeyQFOAGGAZOMDSIY-DWROGWBBSA-N
MW181.28 g/mol
LogP2.44
Rot. Bonds2

About (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane

(2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane (PubChem CID 143962851) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane.

Molecular Properties

Compound Name(2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane
PubChem CID143962851
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane
SMILESCC.[H]/N=C(C(/C#N)=C(/C)N)\C(C)C
InChIInChI=1S/C8H13N3.C2H6/c1-5(2)8(11)7(4-9)6(3)10;1-2/h5,11H,10H2,1-3H3;1-2H3/b7-6-,11-8+;
InChIKeyQFOAGGAZOMDSIY-DWROGWBBSA-N
XLogP2.44
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane 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 (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane?
The IUPAC name of (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane (CID 143962851) is (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane.
What is the SMILES notation for (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane?
The canonical SMILES for (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane is CC.[H]/N=C(C(/C#N)=C(/C)N)\C(C)C.
What is the InChIKey of (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane?
The InChIKey is QFOAGGAZOMDSIY-DWROGWBBSA-N. The full InChI is InChI=1S/C8H13N3.C2H6/c1-5(2)8(11)7(4-9)6(3)10;1-2/h5,11H,10H2,1-3H3;1-2H3/b7-6-,11-8+;.
What are the key properties of (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane?
(2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane has a molecular weight of 181.28 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-aminoethylidene)-3-imino-4-methylpentanenitrile;ethane is sourced from PubChem (CID 143962851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).