2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile

C10H16N2O — CID 164649354

IUPAC2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile
SMILESCC(C#N)NC1COC(C2CC2)C1
InChIInChI=1S/C10H16N2O/c1-7(5-11)12-9-4-10(13-6-9)8-2-3-8/h7-10,12H,2-4,6H2,1H3
InChIKeyARZMZHOBZZCVSC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds3

About 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile

2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile (PubChem CID 164649354) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile
PubChem CID164649354
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile
SMILESCC(C#N)NC1COC(C2CC2)C1
InChIInChI=1S/C10H16N2O/c1-7(5-11)12-9-4-10(13-6-9)8-2-3-8/h7-10,12H,2-4,6H2,1H3
InChIKeyARZMZHOBZZCVSC-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-cyclopropyloxolan-3-yl)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 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile?
The IUPAC name of 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile (CID 164649354) is 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile?
The canonical SMILES for 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile is CC(C#N)NC1COC(C2CC2)C1.
What is the InChIKey of 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile?
The InChIKey is ARZMZHOBZZCVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(5-11)12-9-4-10(13-6-9)8-2-3-8/h7-10,12H,2-4,6H2,1H3.
What are the key properties of 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile?
2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyloxolan-3-yl)amino]propanenitrile is sourced from PubChem (CID 164649354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).