4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride

C9H11ClN2 — CID 69041550

IUPAC4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
SMILESCl.NCCC#Cc1ccccn1
InChIInChI=1S/C9H10N2.ClH/c10-7-3-1-5-9-6-2-4-8-11-9;/h2,4,6,8H,3,7,10H2;1H
InChIKeyMYAJKQCWKMSCNG-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.20
Rot. Bonds1

About 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride

4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride (PubChem CID 69041550) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
PubChem CID69041550
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride
SMILESCl.NCCC#Cc1ccccn1
InChIInChI=1S/C9H10N2.ClH/c10-7-3-1-5-9-6-2-4-8-11-9;/h2,4,6,8H,3,7,10H2;1H
InChIKeyMYAJKQCWKMSCNG-UHFFFAOYSA-N
XLogP1.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride?
The IUPAC name of 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride (CID 69041550) is 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride.
What is the SMILES notation for 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride?
The canonical SMILES for 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride is Cl.NCCC#Cc1ccccn1.
What is the InChIKey of 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride?
The InChIKey is MYAJKQCWKMSCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.ClH/c10-7-3-1-5-9-6-2-4-8-11-9;/h2,4,6,8H,3,7,10H2;1H.
What are the key properties of 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride?
4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylbut-3-yn-1-amine;hydrochloride is sourced from PubChem (CID 69041550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).