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

C37H77NO2 — CID 102118007

IUPAC13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
SMILESCCCCCCCCCCCN(CCCCCCCCCCCCCO)CCCCCCCCCCCCCO
InChIInChI=1S/C37H77NO2/c1-2-3-4-5-6-13-18-23-28-33-38(34-29-24-19-14-9-7-11-16-21-26-31-36-39)35-30-25-20-15-10-8-12-17-22-27-32-37-40/h39-40H,2-37H2,1H3
InChIKeyAWAVBIREWCYZRO-UHFFFAOYSA-N
MW568.03 g/mol
LogP11.39
Rot. Bonds36

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

13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol (PubChem CID 102118007) has the molecular formula C37H77NO2 and a molecular weight of 568.03 g/mol. Its IUPAC name is 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol.

Molecular Properties

Compound Name13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
PubChem CID102118007
Molecular FormulaC37H77NO2
Molecular Weight568.03 g/mol
Exact Mass567.60
IUPAC Name13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
SMILESCCCCCCCCCCCN(CCCCCCCCCCCCCO)CCCCCCCCCCCCCO
InChIInChI=1S/C37H77NO2/c1-2-3-4-5-6-13-18-23-28-33-38(34-29-24-19-14-9-7-11-16-21-26-31-36-39)35-30-25-20-15-10-8-12-17-22-27-32-37-40/h39-40H,2-37H2,1H3
InChIKeyAWAVBIREWCYZRO-UHFFFAOYSA-N
XLogP11.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.03
LogP ≤ 511.39
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
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
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(undecyl)amino]tridecan-1-ol?
The IUPAC name of 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol (CID 102118007) is 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol.
What is the SMILES notation for 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol?
The canonical SMILES for 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol is CCCCCCCCCCCN(CCCCCCCCCCCCCO)CCCCCCCCCCCCCO.
What is the InChIKey of 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol?
The InChIKey is AWAVBIREWCYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H77NO2/c1-2-3-4-5-6-13-18-23-28-33-38(34-29-24-19-14-9-7-11-16-21-26-31-36-39)35-30-25-20-15-10-8-12-17-22-27-32-37-40/h39-40H,2-37H2,1H3.
What are the key properties of 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol?
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol has a molecular weight of 568.03 g/mol, XLogP of 11.39, 36 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol is sourced from PubChem (CID 102118007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).