13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol

C40H83NO2 — CID 102118025

IUPAC13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCO)CCCCCCCCCCCCCO
InChIInChI=1S/C40H83NO2/c1-2-3-4-5-6-7-8-11-16-21-26-31-36-41(37-32-27-22-17-12-9-14-19-24-29-34-39-42)38-33-28-23-18-13-10-15-20-25-30-35-40-43/h42-43H,2-40H2,1H3
InChIKeyPURSRUUFCHCKBU-UHFFFAOYSA-N
MW610.11 g/mol
LogP12.56
Rot. Bonds39

About 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol

13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol (PubChem CID 102118025) has the molecular formula C40H83NO2 and a molecular weight of 610.11 g/mol. Its IUPAC name is 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol.

Molecular Properties

Compound Name13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
PubChem CID102118025
Molecular FormulaC40H83NO2
Molecular Weight610.11 g/mol
Exact Mass609.64
IUPAC Name13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCO)CCCCCCCCCCCCCO
InChIInChI=1S/C40H83NO2/c1-2-3-4-5-6-7-8-11-16-21-26-31-36-41(37-32-27-22-17-12-9-14-19-24-29-34-39-42)38-33-28-23-18-13-10-15-20-25-30-35-40-43/h42-43H,2-40H2,1H3
InChIKeyPURSRUUFCHCKBU-UHFFFAOYSA-N
XLogP12.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds39
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.11
LogP ≤ 512.56
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

6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
6-(dibutylamino)hexan-1-ol
CID 22218557
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
3-[decyl(propyl)amino]propan-1-ol
CID 13122229

Frequently Asked Questions

What is the IUPAC name of 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol?
The IUPAC name of 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol (CID 102118025) is 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol.
What is the SMILES notation for 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol?
The canonical SMILES for 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCO)CCCCCCCCCCCCCO.
What is the InChIKey of 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol?
The InChIKey is PURSRUUFCHCKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H83NO2/c1-2-3-4-5-6-7-8-11-16-21-26-31-36-41(37-32-27-22-17-12-9-14-19-24-29-34-39-42)38-33-28-23-18-13-10-15-20-25-30-35-40-43/h42-43H,2-40H2,1H3.
What are the key properties of 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol?
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol has a molecular weight of 610.11 g/mol, XLogP of 12.56, 39 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol is sourced from PubChem (CID 102118025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).