2-aminopentanenitrile;hydrochloride

C5H11ClN2 — CID 12745215

IUPAC2-aminopentanenitrile;hydrochloride
SMILESCCCC(N)C#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-2-3-5(7)4-6;/h5H,2-3,7H2,1H3;1H
InChIKeyNOZCPMSGTGJHJB-UHFFFAOYSA-N
MW134.61 g/mol
LogP1.06
Rot. Bonds2

About 2-aminopentanenitrile;hydrochloride

2-aminopentanenitrile;hydrochloride (PubChem CID 12745215) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is 2-aminopentanenitrile;hydrochloride.

Molecular Properties

Compound Name2-aminopentanenitrile;hydrochloride
PubChem CID12745215
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC Name2-aminopentanenitrile;hydrochloride
SMILESCCCC(N)C#N.Cl
InChIInChI=1S/C5H10N2.ClH/c1-2-3-5(7)4-6;/h5H,2-3,7H2,1H3;1H
InChIKeyNOZCPMSGTGJHJB-UHFFFAOYSA-N
XLogP1.06
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-aminopentanenitrile;hydrochloride?
The IUPAC name of 2-aminopentanenitrile;hydrochloride (CID 12745215) is 2-aminopentanenitrile;hydrochloride.
What is the SMILES notation for 2-aminopentanenitrile;hydrochloride?
The canonical SMILES for 2-aminopentanenitrile;hydrochloride is CCCC(N)C#N.Cl.
What is the InChIKey of 2-aminopentanenitrile;hydrochloride?
The InChIKey is NOZCPMSGTGJHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.ClH/c1-2-3-5(7)4-6;/h5H,2-3,7H2,1H3;1H.
What are the key properties of 2-aminopentanenitrile;hydrochloride?
2-aminopentanenitrile;hydrochloride has a molecular weight of 134.61 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopentanenitrile;hydrochloride is sourced from PubChem (CID 12745215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).