2-amino-2-cyclopropylacetonitrile;hydrochloride

C5H9ClN2 — CID 18417020

IUPAC2-amino-2-cyclopropylacetonitrile;hydrochloride
SMILESCl.N#CC(N)C1CC1
InChIInChI=1S/C5H8N2.ClH/c6-3-5(7)4-1-2-4;/h4-5H,1-2,7H2;1H
InChIKeyXJKSATAZLNMPPO-UHFFFAOYSA-N
MW132.59 g/mol
LogP0.67
Rot. Bonds1

About 2-amino-2-cyclopropylacetonitrile;hydrochloride

2-amino-2-cyclopropylacetonitrile;hydrochloride (PubChem CID 18417020) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-amino-2-cyclopropylacetonitrile;hydrochloride.

Molecular Properties

Compound Name2-amino-2-cyclopropylacetonitrile;hydrochloride
PubChem CID18417020
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name2-amino-2-cyclopropylacetonitrile;hydrochloride
SMILESCl.N#CC(N)C1CC1
InChIInChI=1S/C5H8N2.ClH/c6-3-5(7)4-1-2-4;/h4-5H,1-2,7H2;1H
InChIKeyXJKSATAZLNMPPO-UHFFFAOYSA-N
XLogP0.67
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-2-cyclopropylacetonitrile;hydrochloride 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-amino-2-cyclopropylacetonitrile;hydrochloride?
The IUPAC name of 2-amino-2-cyclopropylacetonitrile;hydrochloride (CID 18417020) is 2-amino-2-cyclopropylacetonitrile;hydrochloride.
What is the SMILES notation for 2-amino-2-cyclopropylacetonitrile;hydrochloride?
The canonical SMILES for 2-amino-2-cyclopropylacetonitrile;hydrochloride is Cl.N#CC(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropylacetonitrile;hydrochloride?
The InChIKey is XJKSATAZLNMPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.ClH/c6-3-5(7)4-1-2-4;/h4-5H,1-2,7H2;1H.
What are the key properties of 2-amino-2-cyclopropylacetonitrile;hydrochloride?
2-amino-2-cyclopropylacetonitrile;hydrochloride has a molecular weight of 132.59 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropylacetonitrile;hydrochloride is sourced from PubChem (CID 18417020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).