2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride

C25H56F2N2O3 — CID 166791794

IUPAC2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
SMILESCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO.F.F
InChIInChI=1S/C25H54N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26(20-23-28)18-16-19-27(21-24-29)22-25-30;;/h28-30H,2-25H2,1H3;2*1H
InChIKeyLROGODWWNOHMSZ-UHFFFAOYSA-N
MW470.73 g/mol
LogP4.74
Rot. Bonds25

About 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride

2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride (PubChem CID 166791794) has the molecular formula C25H56F2N2O3 and a molecular weight of 470.73 g/mol. Its IUPAC name is 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride.

Molecular Properties

Compound Name2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
PubChem CID166791794
Molecular FormulaC25H56F2N2O3
Molecular Weight470.73 g/mol
Exact Mass470.43
IUPAC Name2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride
SMILESCCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO.F.F
InChIInChI=1S/C25H54N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26(20-23-28)18-16-19-27(21-24-29)22-25-30;;/h28-30H,2-25H2,1H3;2*1H
InChIKeyLROGODWWNOHMSZ-UHFFFAOYSA-N
XLogP4.74
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.73
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073
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
4-(didodecylamino)butan-1-ol;2-(didodecylamino)ethanol;3-(didodecylamino)propan-1-ol;2-[di(nonyl)amino]ethanol
CID 158988297
2-[heptyl(propyl)amino]ethanol;methanethiol
CID 177227133
2-[ethyl(nonyl)amino]ethanol
CID 62021397
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688

Frequently Asked Questions

What is the IUPAC name of 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride?
The IUPAC name of 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride (CID 166791794) is 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride.
What is the SMILES notation for 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride?
The canonical SMILES for 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride is CCCCCCCCCCCCCCCCN(CCO)CCCN(CCO)CCO.F.F.
What is the InChIKey of 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride?
The InChIKey is LROGODWWNOHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2O3.2FH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26(20-23-28)18-16-19-27(21-24-29)22-25-30;;/h28-30H,2-25H2,1H3;2*1H.
What are the key properties of 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride?
2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride has a molecular weight of 470.73 g/mol, XLogP of 4.74, 25 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[bis(2-hydroxyethyl)amino]propyl-hexadecylamino]ethanol;dihydrofluoride is sourced from PubChem (CID 166791794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).