2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol

C30H66N2O4 — CID 161305073

IUPAC2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCN(CCO)CCO.CCCCN(CCO)CCO
InChIInChI=1S/C22H47NO2.C8H19NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-9(5-7-10)6-8-11/h24-25H,2-22H2,1H3;10-11H,2-8H2,1H3
InChIKeyVIDGJFQHZCJTHL-UHFFFAOYSA-N
MW518.87 g/mol
LogP5.61
Rot. Bonds28

About 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol

2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol (PubChem CID 161305073) has the molecular formula C30H66N2O4 and a molecular weight of 518.87 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
PubChem CID161305073
Molecular FormulaC30H66N2O4
Molecular Weight518.87 g/mol
Exact Mass518.50
IUPAC Name2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
SMILESCCCCCCCCCCCCCCCCCCN(CCO)CCO.CCCCN(CCO)CCO
InChIInChI=1S/C22H47NO2.C8H19NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-9(5-7-10)6-8-11/h24-25H,2-22H2,1H3;10-11H,2-8H2,1H3
InChIKeyVIDGJFQHZCJTHL-UHFFFAOYSA-N
XLogP5.61
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.87
LogP ≤ 55.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
CID 166791794
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol (CID 161305073) is 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol is CCCCCCCCCCCCCCCCCCN(CCO)CCO.CCCCN(CCO)CCO.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol?
The InChIKey is VIDGJFQHZCJTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO2.C8H19NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-9(5-7-10)6-8-11/h24-25H,2-22H2,1H3;10-11H,2-8H2,1H3.
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol?
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol has a molecular weight of 518.87 g/mol, XLogP of 5.61, 28 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol is sourced from PubChem (CID 161305073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).