3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile

C8H17N3 — CID 62639936

IUPAC3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
SMILESCCN(C)CCNCCC#N
InChIInChI=1S/C8H17N3/c1-3-11(2)8-7-10-6-4-5-9/h10H,3-4,6-8H2,1-2H3
InChIKeyRHEBGLDQNOOXJS-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.44
Rot. Bonds6

About 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile

3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile (PubChem CID 62639936) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
PubChem CID62639936
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile
SMILESCCN(C)CCNCCC#N
InChIInChI=1S/C8H17N3/c1-3-11(2)8-7-10-6-4-5-9/h10H,3-4,6-8H2,1-2H3
InChIKeyRHEBGLDQNOOXJS-UHFFFAOYSA-N
XLogP0.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile 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-[2-[ethyl(methyl)amino]ethylamino]propanenitrile?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile (CID 62639936) is 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile is CCN(C)CCNCCC#N.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile?
The InChIKey is RHEBGLDQNOOXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-11(2)8-7-10-6-4-5-9/h10H,3-4,6-8H2,1-2H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile?
3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile has a molecular weight of 155.24 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethylamino]propanenitrile is sourced from PubChem (CID 62639936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).