3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile

C8H15N3 — CID 123967797

IUPAC3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile
SMILESCCN(C)C(CC#N)C1CN1
InChIInChI=1S/C8H15N3/c1-3-11(2)8(4-5-9)7-6-10-7/h7-8,10H,3-4,6H2,1-2H3
InChIKeyWKIGJQRKGAZVLJ-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.19
Rot. Bonds4

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

3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile (PubChem CID 123967797) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile.

Molecular Properties

Compound Name3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile
PubChem CID123967797
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile
SMILESCCN(C)C(CC#N)C1CN1
InChIInChI=1S/C8H15N3/c1-3-11(2)8(4-5-9)7-6-10-7/h7-8,10H,3-4,6H2,1-2H3
InChIKeyWKIGJQRKGAZVLJ-UHFFFAOYSA-N
XLogP0.19
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]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-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile?
The IUPAC name of 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile (CID 123967797) is 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile.
What is the SMILES notation for 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile?
The canonical SMILES for 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile is CCN(C)C(CC#N)C1CN1.
What is the InChIKey of 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile?
The InChIKey is WKIGJQRKGAZVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-11(2)8(4-5-9)7-6-10-7/h7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile?
3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile has a molecular weight of 153.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aziridin-2-yl)-3-[ethyl(methyl)amino]propanenitrile is sourced from PubChem (CID 123967797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).