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

C22H48ClNO2 — CID 173363692

IUPAC3-(nonadecylamino)propane-1,1-diol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCNCCC(O)O.Cl
InChIInChI=1S/C22H47NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22(24)25;/h22-25H,2-21H2,1H3;1H
InChIKeyOWHJEODTPYJLAG-UHFFFAOYSA-N
MW394.08 g/mol
LogP6.35
Rot. Bonds21

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

3-(nonadecylamino)propane-1,1-diol;hydrochloride (PubChem CID 173363692) has the molecular formula C22H48ClNO2 and a molecular weight of 394.08 g/mol. Its IUPAC name is 3-(nonadecylamino)propane-1,1-diol;hydrochloride.

Molecular Properties

Compound Name3-(nonadecylamino)propane-1,1-diol;hydrochloride
PubChem CID173363692
Molecular FormulaC22H48ClNO2
Molecular Weight394.08 g/mol
Exact Mass393.34
IUPAC Name3-(nonadecylamino)propane-1,1-diol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCNCCC(O)O.Cl
InChIInChI=1S/C22H47NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22(24)25;/h22-25H,2-21H2,1H3;1H
InChIKeyOWHJEODTPYJLAG-UHFFFAOYSA-N
XLogP6.35
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.08
LogP ≤ 56.35
H-Bond Donors ≤ 53
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

3-(dodecylamino)propane-1,1-diol;hydrochloride
CID 173003690
3-(pentacosylamino)propane-1,1-diol
CID 87068583
1-(3,3-dihydroxypropylamino)heptadecan-4-one
CID 87068209
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
(7R)-18-(heptadecylamino)octadecan-7-ol
CID 88529231
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;hydrochloride
CID 520044
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of 3-(nonadecylamino)propane-1,1-diol;hydrochloride?
The IUPAC name of 3-(nonadecylamino)propane-1,1-diol;hydrochloride (CID 173363692) is 3-(nonadecylamino)propane-1,1-diol;hydrochloride.
What is the SMILES notation for 3-(nonadecylamino)propane-1,1-diol;hydrochloride?
The canonical SMILES for 3-(nonadecylamino)propane-1,1-diol;hydrochloride is CCCCCCCCCCCCCCCCCCCNCCC(O)O.Cl.
What is the InChIKey of 3-(nonadecylamino)propane-1,1-diol;hydrochloride?
The InChIKey is OWHJEODTPYJLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22(24)25;/h22-25H,2-21H2,1H3;1H.
What are the key properties of 3-(nonadecylamino)propane-1,1-diol;hydrochloride?
3-(nonadecylamino)propane-1,1-diol;hydrochloride has a molecular weight of 394.08 g/mol, XLogP of 6.35, 21 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(nonadecylamino)propane-1,1-diol;hydrochloride is sourced from PubChem (CID 173363692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).