1-aminopropan-1-ol;hydrochloride

C3H10ClNO — CID 18547293

IUPAC1-aminopropan-1-ol;hydrochloride
SMILESCCC(N)O.Cl
InChIInChI=1S/C3H9NO.ClH/c1-2-3(4)5;/h3,5H,2,4H2,1H3;1H
InChIKeyDXVDKPXDOSKLPP-UHFFFAOYSA-N
MW111.57 g/mol
LogP0.10
Rot. Bonds1

About 1-aminopropan-1-ol;hydrochloride

1-aminopropan-1-ol;hydrochloride (PubChem CID 18547293) has the molecular formula C3H10ClNO and a molecular weight of 111.57 g/mol. Its IUPAC name is 1-aminopropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-aminopropan-1-ol;hydrochloride
PubChem CID18547293
Molecular FormulaC3H10ClNO
Molecular Weight111.57 g/mol
Exact Mass111.05
IUPAC Name1-aminopropan-1-ol;hydrochloride
SMILESCCC(N)O.Cl
InChIInChI=1S/C3H9NO.ClH/c1-2-3(4)5;/h3,5H,2,4H2,1H3;1H
InChIKeyDXVDKPXDOSKLPP-UHFFFAOYSA-N
XLogP0.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.57
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(3S)-2-methylpentan-3-amine;hydrochloride
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CID 148517870
1-aminopropan-1-ol;thiomorpholine
CID 174842484
(3R,4S)-4-aminohexan-3-ol
CID 640991
1-fluoropropan-1-amine;hydrochloride
CID 173116737
ethanamine;propane-1,1-diol
CID 90422212
propan-2-amine;propane;propan-2-ol
CID 161404449

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-1-ol;hydrochloride?
The IUPAC name of 1-aminopropan-1-ol;hydrochloride (CID 18547293) is 1-aminopropan-1-ol;hydrochloride.
What is the SMILES notation for 1-aminopropan-1-ol;hydrochloride?
The canonical SMILES for 1-aminopropan-1-ol;hydrochloride is CCC(N)O.Cl.
What is the InChIKey of 1-aminopropan-1-ol;hydrochloride?
The InChIKey is DXVDKPXDOSKLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.ClH/c1-2-3(4)5;/h3,5H,2,4H2,1H3;1H.
What are the key properties of 1-aminopropan-1-ol;hydrochloride?
1-aminopropan-1-ol;hydrochloride has a molecular weight of 111.57 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-1-ol;hydrochloride is sourced from PubChem (CID 18547293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).