1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride

C24H52ClNO2 — CID 175112776

IUPAC1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O.Cl
InChIInChI=1S/C24H51NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27;/h23-24,26-27H,4-22H2,1-3H3;1H
InChIKeyMCDJUPTXBKGVBZ-UHFFFAOYSA-N
MW422.14 g/mol
LogP6.73
Rot. Bonds21

About 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride

1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride (PubChem CID 175112776) has the molecular formula C24H52ClNO2 and a molecular weight of 422.14 g/mol. Its IUPAC name is 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
PubChem CID175112776
Molecular FormulaC24H52ClNO2
Molecular Weight422.14 g/mol
Exact Mass421.37
IUPAC Name1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O.Cl
InChIInChI=1S/C24H51NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27;/h23-24,26-27H,4-22H2,1-3H3;1H
InChIKeyMCDJUPTXBKGVBZ-UHFFFAOYSA-N
XLogP6.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.14
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(didecylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19890026
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[2-hydroxypropyl(pentyl)amino]butan-2-ol
CID 23423726
11-[bis(2-hydroxypropyl)amino]-2-octylundecan-1-ol
CID 173431296
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
2-(dioctylamino)ethane-1,1-diol
CID 87744502
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
2-[ethyl(octadecyl)amino]ethane-1,1-diol;hydrochloride
CID 173150184

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride (CID 175112776) is 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride is CCCCCCCCCCCCCCCCCCN(CC(C)O)CC(C)O.Cl.
What is the InChIKey of 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride?
The InChIKey is MCDJUPTXBKGVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(21-23(2)26)22-24(3)27;/h23-24,26-27H,4-22H2,1-3H3;1H.
What are the key properties of 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride?
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride has a molecular weight of 422.14 g/mol, XLogP of 6.73, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 175112776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).