3-(dimethylamino)propane-1,1-diol;hydrochloride

C5H14ClNO2 — CID 173336782

IUPAC3-(dimethylamino)propane-1,1-diol;hydrochloride
SMILESCN(C)CCC(O)O.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-6(2)4-3-5(7)8;/h5,7-8H,3-4H2,1-2H3;1H
InChIKeyXJFJNAZBGZFSII-UHFFFAOYSA-N
MW155.62 g/mol
LogP-0.33
Rot. Bonds3

About 3-(dimethylamino)propane-1,1-diol;hydrochloride

3-(dimethylamino)propane-1,1-diol;hydrochloride (PubChem CID 173336782) has the molecular formula C5H14ClNO2 and a molecular weight of 155.62 g/mol. Its IUPAC name is 3-(dimethylamino)propane-1,1-diol;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propane-1,1-diol;hydrochloride
PubChem CID173336782
Molecular FormulaC5H14ClNO2
Molecular Weight155.62 g/mol
Exact Mass155.07
IUPAC Name3-(dimethylamino)propane-1,1-diol;hydrochloride
SMILESCN(C)CCC(O)O.Cl
InChIInChI=1S/C5H13NO2.ClH/c1-6(2)4-3-5(7)8;/h5,7-8H,3-4H2,1-2H3;1H
InChIKeyXJFJNAZBGZFSII-UHFFFAOYSA-N
XLogP-0.33
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.62
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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3-[butyl(methyl)amino]propane-1,1-diol
CID 87637565
4-(dimethylamino)-1-methoxybutan-2-ol
CID 115345876
1-N,1-N,1-N',1-N',3-N,3-N-hexamethylpropane-1,1,3-triamine
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4-(dimethylamino)-2-methylbutanamide;hydrochloride
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13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride
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copper;bis(N,N,N',N'-tetramethylethane-1,2-diamine);dihydrochloride
CID 173046939
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
3-fluoro-N,N-dimethylbutan-1-amine
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bis(butane-1,1-diol);dihydrochloride
CID 173010024

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propane-1,1-diol;hydrochloride?
The IUPAC name of 3-(dimethylamino)propane-1,1-diol;hydrochloride (CID 173336782) is 3-(dimethylamino)propane-1,1-diol;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propane-1,1-diol;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propane-1,1-diol;hydrochloride is CN(C)CCC(O)O.Cl.
What is the InChIKey of 3-(dimethylamino)propane-1,1-diol;hydrochloride?
The InChIKey is XJFJNAZBGZFSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.ClH/c1-6(2)4-3-5(7)8;/h5,7-8H,3-4H2,1-2H3;1H.
What are the key properties of 3-(dimethylamino)propane-1,1-diol;hydrochloride?
3-(dimethylamino)propane-1,1-diol;hydrochloride has a molecular weight of 155.62 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propane-1,1-diol;hydrochloride is sourced from PubChem (CID 173336782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).