1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride

C15H34ClNO2 — CID 173001093

IUPAC1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
SMILESCCCCCCCCCCCCN(C)C(C)(O)O.Cl
InChIInChI=1S/C15H33NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16(3)15(2,17)18;/h17-18H,4-14H2,1-3H3;1H
InChIKeyMHEWREJPMYQOBJ-UHFFFAOYSA-N
MW295.89 g/mol
LogP3.92
Rot. Bonds12

About 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride

1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride (PubChem CID 173001093) has the molecular formula C15H34ClNO2 and a molecular weight of 295.89 g/mol. Its IUPAC name is 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride.

Molecular Properties

Compound Name1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
PubChem CID173001093
Molecular FormulaC15H34ClNO2
Molecular Weight295.89 g/mol
Exact Mass295.23
IUPAC Name1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride
SMILESCCCCCCCCCCCCN(C)C(C)(O)O.Cl
InChIInChI=1S/C15H33NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16(3)15(2,17)18;/h17-18H,4-14H2,1-3H3;1H
InChIKeyMHEWREJPMYQOBJ-UHFFFAOYSA-N
XLogP3.92
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.89
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
2-[2-hydroxypropan-2-yl(octyl)amino]propan-2-ol
CID 87538743
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
2-[4-[2-hydroxypropan-2-yl(methyl)amino]butyl-methylamino]propan-2-ol
CID 11470310
N-methyl-N-nonadecylhydroxylamine
CID 87390757
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N-tert-butyl-N-hexadecylhexadecan-1-amine;hydrochloride
CID 173228720
bis(octane);silane;dihydrochloride
CID 173470119
heptane;silane;trihydrochloride
CID 173470147
N-butyl-N-methyldodecan-1-amine;hydrochloride
CID 86105258

Frequently Asked Questions

What is the IUPAC name of 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride?
The IUPAC name of 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride (CID 173001093) is 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride.
What is the SMILES notation for 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride?
The canonical SMILES for 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride is CCCCCCCCCCCCN(C)C(C)(O)O.Cl.
What is the InChIKey of 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride?
The InChIKey is MHEWREJPMYQOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-16(3)15(2,17)18;/h17-18H,4-14H2,1-3H3;1H.
What are the key properties of 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride?
1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride has a molecular weight of 295.89 g/mol, XLogP of 3.92, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecyl(methyl)amino]ethane-1,1-diol;hydrochloride is sourced from PubChem (CID 173001093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).