1-amino-2-methylpent-4-en-2-ol;hydrochloride

C6H14ClNO — CID 134542347

IUPAC1-amino-2-methylpent-4-en-2-ol;hydrochloride
SMILESC=CCC(C)(O)CN.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-4-6(2,8)5-7;/h3,8H,1,4-5,7H2,2H3;1H
InChIKeyJOIDACSORWTIQR-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.69
Rot. Bonds3

About 1-amino-2-methylpent-4-en-2-ol;hydrochloride

1-amino-2-methylpent-4-en-2-ol;hydrochloride (PubChem CID 134542347) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-amino-2-methylpent-4-en-2-ol;hydrochloride.

Molecular Properties

Compound Name1-amino-2-methylpent-4-en-2-ol;hydrochloride
PubChem CID134542347
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name1-amino-2-methylpent-4-en-2-ol;hydrochloride
SMILESC=CCC(C)(O)CN.Cl
InChIInChI=1S/C6H13NO.ClH/c1-3-4-6(2,8)5-7;/h3,8H,1,4-5,7H2,2H3;1H
InChIKeyJOIDACSORWTIQR-UHFFFAOYSA-N
XLogP0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpent-4-en-2-ol;hydrochloride?
The IUPAC name of 1-amino-2-methylpent-4-en-2-ol;hydrochloride (CID 134542347) is 1-amino-2-methylpent-4-en-2-ol;hydrochloride.
What is the SMILES notation for 1-amino-2-methylpent-4-en-2-ol;hydrochloride?
The canonical SMILES for 1-amino-2-methylpent-4-en-2-ol;hydrochloride is C=CCC(C)(O)CN.Cl.
What is the InChIKey of 1-amino-2-methylpent-4-en-2-ol;hydrochloride?
The InChIKey is JOIDACSORWTIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-3-4-6(2,8)5-7;/h3,8H,1,4-5,7H2,2H3;1H.
What are the key properties of 1-amino-2-methylpent-4-en-2-ol;hydrochloride?
1-amino-2-methylpent-4-en-2-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpent-4-en-2-ol;hydrochloride is sourced from PubChem (CID 134542347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).