2-[hexadecyl(propyl)amino]ethanol

C21H45NO — CID 18346925

IUPAC2-[hexadecyl(propyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCN(CCC)CCO
InChIInChI=1S/C21H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)20-21-23/h23H,3-21H2,1-2H3
InChIKeyYDIPWELWEGJRJT-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.17
Rot. Bonds19

About 2-[hexadecyl(propyl)amino]ethanol

2-[hexadecyl(propyl)amino]ethanol (PubChem CID 18346925) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 2-[hexadecyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[hexadecyl(propyl)amino]ethanol
PubChem CID18346925
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name2-[hexadecyl(propyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCN(CCC)CCO
InChIInChI=1S/C21H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)20-21-23/h23H,3-21H2,1-2H3
InChIKeyYDIPWELWEGJRJT-UHFFFAOYSA-N
XLogP6.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.17
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-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133
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-[decyl(propyl)amino]propan-1-ol
CID 13122229
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050

Frequently Asked Questions

What is the IUPAC name of 2-[hexadecyl(propyl)amino]ethanol?
The IUPAC name of 2-[hexadecyl(propyl)amino]ethanol (CID 18346925) is 2-[hexadecyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[hexadecyl(propyl)amino]ethanol?
The canonical SMILES for 2-[hexadecyl(propyl)amino]ethanol is CCCCCCCCCCCCCCCCN(CCC)CCO.
What is the InChIKey of 2-[hexadecyl(propyl)amino]ethanol?
The InChIKey is YDIPWELWEGJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(18-4-2)20-21-23/h23H,3-21H2,1-2H3.
What are the key properties of 2-[hexadecyl(propyl)amino]ethanol?
2-[hexadecyl(propyl)amino]ethanol has a molecular weight of 327.60 g/mol, XLogP of 6.17, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexadecyl(propyl)amino]ethanol is sourced from PubChem (CID 18346925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).