2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol

C44H91NO — CID 166893886

IUPAC2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
SMILESCCCCCCCCCCCCCCN(CCO)CCCC(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C44H91NO/c1-4-7-10-13-16-19-22-23-26-29-32-35-40-45(42-43-46)41-36-39-44(37-33-30-27-24-20-17-14-11-8-5-2)38-34-31-28-25-21-18-15-12-9-6-3/h44,46H,4-43H2,1-3H3
InChIKeyXJJLKEMGUBERRA-UHFFFAOYSA-N
MW650.22 g/mol
LogP15.00
Rot. Bonds41

About 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol

2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol (PubChem CID 166893886) has the molecular formula C44H91NO and a molecular weight of 650.22 g/mol. Its IUPAC name is 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol.

Molecular Properties

Compound Name2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
PubChem CID166893886
Molecular FormulaC44H91NO
Molecular Weight650.22 g/mol
Exact Mass649.71
IUPAC Name2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
SMILESCCCCCCCCCCCCCCN(CCO)CCCC(CCCCCCCCCCCC)CCCCCCCCCCCC
InChIInChI=1S/C44H91NO/c1-4-7-10-13-16-19-22-23-26-29-32-35-40-45(42-43-46)41-36-39-44(37-33-30-27-24-20-17-14-11-8-5-2)38-34-31-28-25-21-18-15-12-9-6-3/h44,46H,4-43H2,1-3H3
InChIKeyXJJLKEMGUBERRA-UHFFFAOYSA-N
XLogP15.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds41
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.22
LogP ≤ 515.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
formic acid;methanol;2-[8-octylhexadecyl(tetradecyl)amino]ethanol
CID 170755330
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octadecyl)amino]ethanol;hydrochloride
CID 22999610
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
3-[3-(diethylamino)propyl]pentadecan-1-ol
CID 118181955
8-[2-hydroxyethyl(8-octylhexadecyl)amino]-N-methyl-N-nonyloctanamide
CID 170755316
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925

Frequently Asked Questions

What is the IUPAC name of 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol?
The IUPAC name of 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol (CID 166893886) is 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol.
What is the SMILES notation for 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol?
The canonical SMILES for 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol is CCCCCCCCCCCCCCN(CCO)CCCC(CCCCCCCCCCCC)CCCCCCCCCCCC.
What is the InChIKey of 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol?
The InChIKey is XJJLKEMGUBERRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H91NO/c1-4-7-10-13-16-19-22-23-26-29-32-35-40-45(42-43-46)41-36-39-44(37-33-30-27-24-20-17-14-11-8-5-2)38-34-31-28-25-21-18-15-12-9-6-3/h44,46H,4-43H2,1-3H3.
What are the key properties of 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol?
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol has a molecular weight of 650.22 g/mol, XLogP of 15.00, 41 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol is sourced from PubChem (CID 166893886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).