pent-3-yn-1-amine;hydrochloride

C5H10ClN — CID 71340253

IUPACpent-3-yn-1-amine;hydrochloride
SMILESCC#CCCN.Cl
InChIInChI=1S/C5H9N.ClH/c1-2-3-4-5-6;/h4-6H2,1H3;1H
InChIKeyLRBILJVWKVSKDH-UHFFFAOYSA-N
MW119.59 g/mol
LogP0.78
Rot. Bonds1

About pent-3-yn-1-amine;hydrochloride

pent-3-yn-1-amine;hydrochloride (PubChem CID 71340253) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is pent-3-yn-1-amine;hydrochloride.

Molecular Properties

Compound Namepent-3-yn-1-amine;hydrochloride
PubChem CID71340253
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Namepent-3-yn-1-amine;hydrochloride
SMILESCC#CCCN.Cl
InChIInChI=1S/C5H9N.ClH/c1-2-3-4-5-6;/h4-6H2,1H3;1H
InChIKeyLRBILJVWKVSKDH-UHFFFAOYSA-N
XLogP0.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-3-yn-1-amine;hydrochloride?
The IUPAC name of pent-3-yn-1-amine;hydrochloride (CID 71340253) is pent-3-yn-1-amine;hydrochloride.
What is the SMILES notation for pent-3-yn-1-amine;hydrochloride?
The canonical SMILES for pent-3-yn-1-amine;hydrochloride is CC#CCCN.Cl.
What is the InChIKey of pent-3-yn-1-amine;hydrochloride?
The InChIKey is LRBILJVWKVSKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-2-3-4-5-6;/h4-6H2,1H3;1H.
What are the key properties of pent-3-yn-1-amine;hydrochloride?
pent-3-yn-1-amine;hydrochloride has a molecular weight of 119.59 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-3-yn-1-amine;hydrochloride is sourced from PubChem (CID 71340253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).