1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol

C18H39NO3 — CID 101275199

IUPAC1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
SMILESCCCCCCC(O)CN(CCO)CC(O)CCCCCC
InChIInChI=1S/C18H39NO3/c1-3-5-7-9-11-17(21)15-19(13-14-20)16-18(22)12-10-8-6-4-2/h17-18,20-22H,3-16H2,1-2H3
InChIKeyNDFOJUZRTNRPED-UHFFFAOYSA-N
MW317.51 g/mol
LogP2.94
Rot. Bonds16

About 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol

1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol (PubChem CID 101275199) has the molecular formula C18H39NO3 and a molecular weight of 317.51 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
PubChem CID101275199
Molecular FormulaC18H39NO3
Molecular Weight317.51 g/mol
Exact Mass317.29
IUPAC Name1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
SMILESCCCCCCC(O)CN(CCO)CC(O)CCCCCC
InChIInChI=1S/C18H39NO3/c1-3-5-7-9-11-17(21)15-19(13-14-20)16-18(22)12-10-8-6-4-2/h17-18,20-22H,3-16H2,1-2H3
InChIKeyNDFOJUZRTNRPED-UHFFFAOYSA-N
XLogP2.94
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.51
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxyethyl(2-hydroxypropyl)amino]decan-2-ol
CID 155427539
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
CID 99119531
1-(dibutylamino)undecan-2-ol
CID 101275149
1-[3-(dimethylamino)propyl-(2-hydroxyoctadecyl)amino]nonadecan-2-ol
CID 86567590
tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
CID 88928952
1-[2-hydroxydodecyl(3-sulfanylpropyl)amino]dodecan-2-ol
CID 162693417
1-[2-hydroxyoctadecyl(4-sulfanylbutyl)amino]octadecan-2-ol
CID 162693436
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol (CID 101275199) is 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol is CCCCCCC(O)CN(CCO)CC(O)CCCCCC.
What is the InChIKey of 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol?
The InChIKey is NDFOJUZRTNRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3/c1-3-5-7-9-11-17(21)15-19(13-14-20)16-18(22)12-10-8-6-4-2/h17-18,20-22H,3-16H2,1-2H3.
What are the key properties of 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol?
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol has a molecular weight of 317.51 g/mol, XLogP of 2.94, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol is sourced from PubChem (CID 101275199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).