2-(4-aminooxan-4-yl)acetonitrile;hydrochloride

C7H13ClN2O — CID 172915698

IUPAC2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
SMILESCl.N#CCC1(N)CCOCC1
InChIInChI=1S/C7H12N2O.ClH/c8-4-1-7(9)2-5-10-6-3-7;/h1-3,5-6,9H2;1H
InChIKeyBZAGZBMTTODHPQ-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.83
Rot. Bonds1

About 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride

2-(4-aminooxan-4-yl)acetonitrile;hydrochloride (PubChem CID 172915698) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride.

Molecular Properties

Compound Name2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
PubChem CID172915698
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name2-(4-aminooxan-4-yl)acetonitrile;hydrochloride
SMILESCl.N#CCC1(N)CCOCC1
InChIInChI=1S/C7H12N2O.ClH/c8-4-1-7(9)2-5-10-6-3-7;/h1-3,5-6,9H2;1H
InChIKeyBZAGZBMTTODHPQ-UHFFFAOYSA-N
XLogP0.83
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-aminooxan-4-yl)acetonitrile;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-(4-aminooxan-4-yl)acetonitrile;hydrochloride?
The IUPAC name of 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride (CID 172915698) is 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride.
What is the SMILES notation for 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride?
The canonical SMILES for 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride is Cl.N#CCC1(N)CCOCC1.
What is the InChIKey of 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride?
The InChIKey is BZAGZBMTTODHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c8-4-1-7(9)2-5-10-6-3-7;/h1-3,5-6,9H2;1H.
What are the key properties of 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride?
2-(4-aminooxan-4-yl)acetonitrile;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminooxan-4-yl)acetonitrile;hydrochloride is sourced from PubChem (CID 172915698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).