3-(octadecylamino)pentane-1,5-diol;hydrochloride

C23H50ClNO2 — CID 173050552

IUPAC3-(octadecylamino)pentane-1,5-diol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(CCO)CCO.Cl
InChIInChI=1S/C23H49NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;/h23-26H,2-22H2,1H3;1H
InChIKeyKATLNEIOSQYADY-UHFFFAOYSA-N
MW408.11 g/mol
LogP6.39
Rot. Bonds22

About 3-(octadecylamino)pentane-1,5-diol;hydrochloride

3-(octadecylamino)pentane-1,5-diol;hydrochloride (PubChem CID 173050552) has the molecular formula C23H50ClNO2 and a molecular weight of 408.11 g/mol. Its IUPAC name is 3-(octadecylamino)pentane-1,5-diol;hydrochloride.

Molecular Properties

Compound Name3-(octadecylamino)pentane-1,5-diol;hydrochloride
PubChem CID173050552
Molecular FormulaC23H50ClNO2
Molecular Weight408.11 g/mol
Exact Mass407.35
IUPAC Name3-(octadecylamino)pentane-1,5-diol;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCNC(CCO)CCO.Cl
InChIInChI=1S/C23H49NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;/h23-26H,2-22H2,1H3;1H
InChIKeyKATLNEIOSQYADY-UHFFFAOYSA-N
XLogP6.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.11
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)dodecan-1-ol
CID 114078400
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
3-[3-(dimethylamino)propylamino]dodecan-1-ol
CID 169107448
6-[12-(6-hydroxyhexylamino)hexadecan-5-ylamino]hexan-1-ol
CID 11798078
2-(hexylamino)pentan-1-ol
CID 155661034
3-(octylamino)butan-1-ol
CID 83177243
2-(decylamino)butan-1-ol
CID 60668820
4-N-heptyl-1-N,7-N-dihexylheptane-1,4,7-triamine
CID 14837601
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
N-pentyloctan-4-amine
CID 106023306
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579

Frequently Asked Questions

What is the IUPAC name of 3-(octadecylamino)pentane-1,5-diol;hydrochloride?
The IUPAC name of 3-(octadecylamino)pentane-1,5-diol;hydrochloride (CID 173050552) is 3-(octadecylamino)pentane-1,5-diol;hydrochloride.
What is the SMILES notation for 3-(octadecylamino)pentane-1,5-diol;hydrochloride?
The canonical SMILES for 3-(octadecylamino)pentane-1,5-diol;hydrochloride is CCCCCCCCCCCCCCCCCCNC(CCO)CCO.Cl.
What is the InChIKey of 3-(octadecylamino)pentane-1,5-diol;hydrochloride?
The InChIKey is KATLNEIOSQYADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;/h23-26H,2-22H2,1H3;1H.
What are the key properties of 3-(octadecylamino)pentane-1,5-diol;hydrochloride?
3-(octadecylamino)pentane-1,5-diol;hydrochloride has a molecular weight of 408.11 g/mol, XLogP of 6.39, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(octadecylamino)pentane-1,5-diol;hydrochloride is sourced from PubChem (CID 173050552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).