(2R)-3-(dodecylamino)propane-1,2-diol

C15H33NO2 — CID 98095014

IUPAC(2R)-3-(dodecylamino)propane-1,2-diol
SMILESCCCCCCCCCCCCNC[C@@H](O)CO
InChIInChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(18)14-17/h15-18H,2-14H2,1H3/t15-/m1/s1
InChIKeyVWGWFMQZURGKKK-OAHLLOKOSA-N
MW259.43 g/mol
LogP2.85
Rot. Bonds14

About (2R)-3-(dodecylamino)propane-1,2-diol

(2R)-3-(dodecylamino)propane-1,2-diol (PubChem CID 98095014) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is (2R)-3-(dodecylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(dodecylamino)propane-1,2-diol
PubChem CID98095014
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name(2R)-3-(dodecylamino)propane-1,2-diol
SMILESCCCCCCCCCCCCNC[C@@H](O)CO
InChIInChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(18)14-17/h15-18H,2-14H2,1H3/t15-/m1/s1
InChIKeyVWGWFMQZURGKKK-OAHLLOKOSA-N
XLogP2.85
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-(dodecylamino)propane-1,2-diol
CID 98095013
3-(octadec-9-enylamino)propane-1,2-diol
CID 76749826
1-(octadecylamino)butan-2-ol
CID 174541083
1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
(2S)-3-(7-methyloctylamino)propane-1,2-diol
CID 107815051
[(2S)-3-(dodecylamino)-2-hydroxypropyl]-trimethylazanium
CID 98153701

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dodecylamino)propane-1,2-diol?
The IUPAC name of (2R)-3-(dodecylamino)propane-1,2-diol (CID 98095014) is (2R)-3-(dodecylamino)propane-1,2-diol.
What is the SMILES notation for (2R)-3-(dodecylamino)propane-1,2-diol?
The canonical SMILES for (2R)-3-(dodecylamino)propane-1,2-diol is CCCCCCCCCCCCNC[C@@H](O)CO.
What is the InChIKey of (2R)-3-(dodecylamino)propane-1,2-diol?
The InChIKey is VWGWFMQZURGKKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15(18)14-17/h15-18H,2-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-3-(dodecylamino)propane-1,2-diol?
(2R)-3-(dodecylamino)propane-1,2-diol has a molecular weight of 259.43 g/mol, XLogP of 2.85, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dodecylamino)propane-1,2-diol is sourced from PubChem (CID 98095014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).