2-(prop-2-enylamino)propan-2-ol;hydrochloride

C6H14ClNO — CID 173057514

IUPAC2-(prop-2-enylamino)propan-2-ol;hydrochloride
SMILESC=CCNC(C)(C)O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-4-5-7-6(2,3)8;/h4,7-8H,1,5H2,2-3H3;1H
InChIKeyOUAQFRLJVCHDLH-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.91
Rot. Bonds3

About 2-(prop-2-enylamino)propan-2-ol;hydrochloride

2-(prop-2-enylamino)propan-2-ol;hydrochloride (PubChem CID 173057514) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 2-(prop-2-enylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(prop-2-enylamino)propan-2-ol;hydrochloride
PubChem CID173057514
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name2-(prop-2-enylamino)propan-2-ol;hydrochloride
SMILESC=CCNC(C)(C)O.Cl
InChIInChI=1S/C6H13NO.ClH/c1-4-5-7-6(2,3)8;/h4,7-8H,1,5H2,2-3H3;1H
InChIKeyOUAQFRLJVCHDLH-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)propan-2-ol;hydrochloride?
The IUPAC name of 2-(prop-2-enylamino)propan-2-ol;hydrochloride (CID 173057514) is 2-(prop-2-enylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 2-(prop-2-enylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 2-(prop-2-enylamino)propan-2-ol;hydrochloride is C=CCNC(C)(C)O.Cl.
What is the InChIKey of 2-(prop-2-enylamino)propan-2-ol;hydrochloride?
The InChIKey is OUAQFRLJVCHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH/c1-4-5-7-6(2,3)8;/h4,7-8H,1,5H2,2-3H3;1H.
What are the key properties of 2-(prop-2-enylamino)propan-2-ol;hydrochloride?
2-(prop-2-enylamino)propan-2-ol;hydrochloride has a molecular weight of 151.64 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 173057514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).