11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol

C34H71NO2 — CID 102118011

IUPAC11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCO)CCCCCCCCCCCO
InChIInChI=1S/C34H71NO2/c1-2-3-4-5-6-7-10-15-20-25-30-35(31-26-21-16-11-8-13-18-23-28-33-36)32-27-22-17-12-9-14-19-24-29-34-37/h36-37H,2-34H2,1H3
InChIKeyYBBGKEWRLXRVCB-UHFFFAOYSA-N
MW525.95 g/mol
LogP10.22
Rot. Bonds33

About 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol

11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol (PubChem CID 102118011) has the molecular formula C34H71NO2 and a molecular weight of 525.95 g/mol. Its IUPAC name is 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol.

Molecular Properties

Compound Name11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
PubChem CID102118011
Molecular FormulaC34H71NO2
Molecular Weight525.95 g/mol
Exact Mass525.55
IUPAC Name11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCO)CCCCCCCCCCCO
InChIInChI=1S/C34H71NO2/c1-2-3-4-5-6-7-10-15-20-25-30-35(31-26-21-16-11-8-13-18-23-28-33-36)32-27-22-17-12-9-14-19-24-29-34-37/h36-37H,2-34H2,1H3
InChIKeyYBBGKEWRLXRVCB-UHFFFAOYSA-N
XLogP10.22
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.95
LogP ≤ 510.22
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
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 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol?
The IUPAC name of 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol (CID 102118011) is 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol.
What is the SMILES notation for 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol?
The canonical SMILES for 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol is CCCCCCCCCCCCN(CCCCCCCCCCCO)CCCCCCCCCCCO.
What is the InChIKey of 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol?
The InChIKey is YBBGKEWRLXRVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71NO2/c1-2-3-4-5-6-7-10-15-20-25-30-35(31-26-21-16-11-8-13-18-23-28-33-36)32-27-22-17-12-9-14-19-24-29-34-37/h36-37H,2-34H2,1H3.
What are the key properties of 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol?
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol has a molecular weight of 525.95 g/mol, XLogP of 10.22, 33 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol is sourced from PubChem (CID 102118011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).