1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol

C24H47NO3 — CID 101275237

IUPAC1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol
SMILESC=CCCCCCCCC(O)CN(CCO)CC(O)CCCCCCCC=C
InChIInChI=1S/C24H47NO3/c1-3-5-7-9-11-13-15-17-23(27)21-25(19-20-26)22-24(28)18-16-14-12-10-8-6-4-2/h3-4,23-24,26-28H,1-2,5-22H2
InChIKeyPGVHDBVRHOMFFL-UHFFFAOYSA-N
MW397.64 g/mol
LogP4.84
Rot. Bonds22

About 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol

1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol (PubChem CID 101275237) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol
PubChem CID101275237
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol
SMILESC=CCCCCCCCC(O)CN(CCO)CC(O)CCCCCCCC=C
InChIInChI=1S/C24H47NO3/c1-3-5-7-9-11-13-15-17-23(27)21-25(19-20-26)22-24(28)18-16-14-12-10-8-6-4-2/h3-4,23-24,26-28H,1-2,5-22H2
InChIKeyPGVHDBVRHOMFFL-UHFFFAOYSA-N
XLogP4.84
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.64
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 101275199
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CID 155427539
(2R,4R)-nonadec-18-ene-1,2,4-triol
CID 171749801
(4R,5R)-pentadec-14-ene-1,4,5-triol
CID 11747294
1-(2-hydroxydec-9-enoxy)dec-9-en-2-ol
CID 87864573
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
3-methylpentadec-14-en-5-ol
CID 10823994
2-(hydroxymethyl)-6-undec-10-enylheptane-1,4,7-triol
CID 141449008
3-hydroxydec-9-enoic acid
CID 19010677

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol (CID 101275237) is 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol is C=CCCCCCCCC(O)CN(CCO)CC(O)CCCCCCCC=C.
What is the InChIKey of 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol?
The InChIKey is PGVHDBVRHOMFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-3-5-7-9-11-13-15-17-23(27)21-25(19-20-26)22-24(28)18-16-14-12-10-8-6-4-2/h3-4,23-24,26-28H,1-2,5-22H2.
What are the key properties of 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol?
1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol has a molecular weight of 397.64 g/mol, XLogP of 4.84, 22 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(2-hydroxyundec-10-enyl)amino]undec-10-en-2-ol is sourced from PubChem (CID 101275237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).