2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol

C28H59NO2 — CID 19798932

IUPAC2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
SMILESCCCCCCCCCCCCC(CO)(CCCCCCCCCCCC)NCCO
InChIInChI=1S/C28H59NO2/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-31,29-25-26-30)24-22-20-18-16-14-12-10-8-6-4-2/h29-31H,3-27H2,1-2H3
InChIKeyVXBNFYMHWKQNQQ-UHFFFAOYSA-N
MW441.79 g/mol
LogP7.92
Rot. Bonds26

About 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol

2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol (PubChem CID 19798932) has the molecular formula C28H59NO2 and a molecular weight of 441.79 g/mol. Its IUPAC name is 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol.

Molecular Properties

Compound Name2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
PubChem CID19798932
Molecular FormulaC28H59NO2
Molecular Weight441.79 g/mol
Exact Mass441.45
IUPAC Name2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol
SMILESCCCCCCCCCCCCC(CO)(CCCCCCCCCCCC)NCCO
InChIInChI=1S/C28H59NO2/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-31,29-25-26-30)24-22-20-18-16-14-12-10-8-6-4-2/h29-31H,3-27H2,1-2H3
InChIKeyVXBNFYMHWKQNQQ-UHFFFAOYSA-N
XLogP7.92
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.79
LogP ≤ 57.92
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

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CID 70694369
2-(Butylamino)hexadecan-1-ol
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2-(Ethylamino)octadecan-1-ol
CID 56835111
2-(Ethylamino)hexadecan-1-ol
CID 10016808
2-(Hexylamino)hexadecan-1-ol
CID 16066835
2-(Decylamino)hexadecan-1-ol
CID 44420155
2-Cyclohexyl-2-(2-methoxyethylamino)propan-1-ol
CID 64759521
2-(2-Fluorohexadecyl)-2-(methylamino)propane-1,3-diol
CID 90227798
3-(3-Aminopropyl)-3-[fluoro(2-hydroxyethyl)amino]-4-hexadecylhexane-1,6-diol
CID 139789265
2-(N-Methylamino)-3,7,11-trimethyl-1,3-dodecanediol
CID 19928714
3-(Tert-butylamino)-8-methoxy-2,6-dimethyl-2-octanol
CID 12624459
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol?
The IUPAC name of 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol (CID 19798932) is 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol.
What is the SMILES notation for 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol?
The canonical SMILES for 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol is CCCCCCCCCCCCC(CO)(CCCCCCCCCCCC)NCCO.
What is the InChIKey of 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol?
The InChIKey is VXBNFYMHWKQNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59NO2/c1-3-5-7-9-11-13-15-17-19-21-23-28(27-31,29-25-26-30)24-22-20-18-16-14-12-10-8-6-4-2/h29-31H,3-27H2,1-2H3.
What are the key properties of 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol?
2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol has a molecular weight of 441.79 g/mol, XLogP of 7.92, 26 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-(2-hydroxyethylamino)tetradecan-1-ol is sourced from PubChem (CID 19798932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).