1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol

C18H39NO2 — CID 89315148

IUPAC1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
SMILESCCCCCCCCCCC(C)N(CC(C)O)CC(C)O
InChIInChI=1S/C18H39NO2/c1-5-6-7-8-9-10-11-12-13-16(2)19(14-17(3)20)15-18(4)21/h16-18,20-21H,5-15H2,1-4H3
InChIKeyIAFYZXJTFYOKAS-UHFFFAOYSA-N
MW301.52 g/mol
LogP3.97
Rot. Bonds14

About 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol

1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 89315148) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
PubChem CID89315148
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol
SMILESCCCCCCCCCCC(C)N(CC(C)O)CC(C)O
InChIInChI=1S/C18H39NO2/c1-5-6-7-8-9-10-11-12-13-16(2)19(14-17(3)20)15-18(4)21/h16-18,20-21H,5-15H2,1-4H3
InChIKeyIAFYZXJTFYOKAS-UHFFFAOYSA-N
XLogP3.97
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 53.97
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

(2S)-octadecan-2-ol
CID 25022019
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
heptane;heptan-2-ol
CID 157400640
henicosan-2-ol
CID 14151023
(2S)-1-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]dodecan-2-ol
CID 129387119
hydroxylamine;2-methylnonadecane
CID 87902402
octan-2-ol;vanadium
CID 175998662
azane;tetradecan-2-ol
CID 172733454
(2R)-heptan-2-ol
CID 6992611
1-[2-hydroxydodecyl(propan-2-yl)amino]tridecan-2-ol
CID 171814651
sodium;dodecan-2-ol;hydride
CID 174187549

Frequently Asked Questions

What is the IUPAC name of 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol (CID 89315148) is 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol is CCCCCCCCCCC(C)N(CC(C)O)CC(C)O.
What is the InChIKey of 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is IAFYZXJTFYOKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-5-6-7-8-9-10-11-12-13-16(2)19(14-17(3)20)15-18(4)21/h16-18,20-21H,5-15H2,1-4H3.
What are the key properties of 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol?
1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 301.52 g/mol, XLogP of 3.97, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dodecan-2-yl(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 89315148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).