3-(2-aminoethoxy)propanenitrile;hydrochloride

C5H11ClN2O — CID 86645514

IUPAC3-(2-aminoethoxy)propanenitrile;hydrochloride
SMILESCl.N#CCCOCCN
InChIInChI=1S/C5H10N2O.ClH/c6-2-1-4-8-5-3-7;/h1,3-5,7H2;1H
InChIKeyHUCQJLNRXGXRRY-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.30
Rot. Bonds4

About 3-(2-aminoethoxy)propanenitrile;hydrochloride

3-(2-aminoethoxy)propanenitrile;hydrochloride (PubChem CID 86645514) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 3-(2-aminoethoxy)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethoxy)propanenitrile;hydrochloride
PubChem CID86645514
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name3-(2-aminoethoxy)propanenitrile;hydrochloride
SMILESCl.N#CCCOCCN
InChIInChI=1S/C5H10N2O.ClH/c6-2-1-4-8-5-3-7;/h1,3-5,7H2;1H
InChIKeyHUCQJLNRXGXRRY-UHFFFAOYSA-N
XLogP0.30
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)propanenitrile;hydrochloride?
The IUPAC name of 3-(2-aminoethoxy)propanenitrile;hydrochloride (CID 86645514) is 3-(2-aminoethoxy)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(2-aminoethoxy)propanenitrile;hydrochloride?
The canonical SMILES for 3-(2-aminoethoxy)propanenitrile;hydrochloride is Cl.N#CCCOCCN.
What is the InChIKey of 3-(2-aminoethoxy)propanenitrile;hydrochloride?
The InChIKey is HUCQJLNRXGXRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c6-2-1-4-8-5-3-7;/h1,3-5,7H2;1H.
What are the key properties of 3-(2-aminoethoxy)propanenitrile;hydrochloride?
3-(2-aminoethoxy)propanenitrile;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)propanenitrile;hydrochloride is sourced from PubChem (CID 86645514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).