(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol

C17H37NO3 — CID 98095005

IUPAC(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
SMILESCCCCCCCCCCCCN(CCO)C[C@@H](O)CO
InChIInChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18(13-14-19)15-17(21)16-20/h17,19-21H,2-16H2,1H3/t17-/m1/s1
InChIKeyNXWRADQGCVGQIY-QGZVFWFLSA-N
MW303.49 g/mol
LogP2.55
Rot. Bonds16

About (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol

(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol (PubChem CID 98095005) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
PubChem CID98095005
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Name(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
SMILESCCCCCCCCCCCCN(CCO)C[C@@H](O)CO
InChIInChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18(13-14-19)15-17(21)16-20/h17,19-21H,2-16H2,1H3/t17-/m1/s1
InChIKeyNXWRADQGCVGQIY-QGZVFWFLSA-N
XLogP2.55
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733
3-[bis(octadeca-9,12-dienyl)amino]propane-1,2-diol
CID 76710397
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
N-[2-[2,3-dihydroxypropyl(2-hydroxyethyl)amino]ethyl]tetradecanamide
CID 155083884
1-(dipentylamino)butan-2-ol
CID 21496903
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
3-[2,3-dihydroxypropyl-[(E)-undec-4-enyl]amino]propane-1,2-diol
CID 101275334

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol (CID 98095005) is (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol is CCCCCCCCCCCCN(CCO)C[C@@H](O)CO.
What is the InChIKey of (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol?
The InChIKey is NXWRADQGCVGQIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18(13-14-19)15-17(21)16-20/h17,19-21H,2-16H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol?
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol has a molecular weight of 303.49 g/mol, XLogP of 2.55, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol is sourced from PubChem (CID 98095005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).