2-amino-2-methylpent-3-yn-1-ol;hydrochloride

C6H12ClNO — CID 87878432

IUPAC2-amino-2-methylpent-3-yn-1-ol;hydrochloride
SMILESCC#CC(C)(N)CO.Cl
InChIInChI=1S/C6H11NO.ClH/c1-3-4-6(2,7)5-8;/h8H,5,7H2,1-2H3;1H
InChIKeyPDKIPIWAXAYGMN-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.14
Rot. Bonds1

About 2-amino-2-methylpent-3-yn-1-ol;hydrochloride

2-amino-2-methylpent-3-yn-1-ol;hydrochloride (PubChem CID 87878432) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-amino-2-methylpent-3-yn-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methylpent-3-yn-1-ol;hydrochloride
PubChem CID87878432
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-amino-2-methylpent-3-yn-1-ol;hydrochloride
SMILESCC#CC(C)(N)CO.Cl
InChIInChI=1S/C6H11NO.ClH/c1-3-4-6(2,7)5-8;/h8H,5,7H2,1-2H3;1H
InChIKeyPDKIPIWAXAYGMN-UHFFFAOYSA-N
XLogP0.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.14
H-Bond Donors ≤ 52
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 2-amino-2-methylpent-3-yn-1-ol;hydrochloride?
The IUPAC name of 2-amino-2-methylpent-3-yn-1-ol;hydrochloride (CID 87878432) is 2-amino-2-methylpent-3-yn-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-2-methylpent-3-yn-1-ol;hydrochloride?
The canonical SMILES for 2-amino-2-methylpent-3-yn-1-ol;hydrochloride is CC#CC(C)(N)CO.Cl.
What is the InChIKey of 2-amino-2-methylpent-3-yn-1-ol;hydrochloride?
The InChIKey is PDKIPIWAXAYGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-3-4-6(2,7)5-8;/h8H,5,7H2,1-2H3;1H.
What are the key properties of 2-amino-2-methylpent-3-yn-1-ol;hydrochloride?
2-amino-2-methylpent-3-yn-1-ol;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpent-3-yn-1-ol;hydrochloride is sourced from PubChem (CID 87878432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).