2-[bis(4,4,4-trimethoxybutyl)amino]ethanol

C16H35NO7 — CID 167681274

IUPAC2-[bis(4,4,4-trimethoxybutyl)amino]ethanol
SMILESCOC(CCCN(CCO)CCCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C16H35NO7/c1-19-15(20-2,21-3)9-7-11-17(13-14-18)12-8-10-16(22-4,23-5)24-6/h18H,7-14H2,1-6H3
InChIKeyZSRHIOPGHJIWBV-UHFFFAOYSA-N
MW353.46 g/mol
LogP1.03
Rot. Bonds16

About 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol

2-[bis(4,4,4-trimethoxybutyl)amino]ethanol (PubChem CID 167681274) has the molecular formula C16H35NO7 and a molecular weight of 353.46 g/mol. Its IUPAC name is 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(4,4,4-trimethoxybutyl)amino]ethanol
PubChem CID167681274
Molecular FormulaC16H35NO7
Molecular Weight353.46 g/mol
Exact Mass353.24
IUPAC Name2-[bis(4,4,4-trimethoxybutyl)amino]ethanol
SMILESCOC(CCCN(CCO)CCCC(OC)(OC)OC)(OC)OC
InChIInChI=1S/C16H35NO7/c1-19-15(20-2,21-3)9-7-11-17(13-14-18)12-8-10-16(22-4,23-5)24-6/h18H,7-14H2,1-6H3
InChIKeyZSRHIOPGHJIWBV-UHFFFAOYSA-N
XLogP1.03
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
1,1,1,9,9,9-hexamethoxynonane
CID 161375349
1,1,1,27,27,27-hexamethoxyheptacosane
CID 150189125
1,1,1,25,25,25-hexamethoxypentacosane
CID 151063523
2-[2-hydroxyethyl(5-methoxypentyl)amino]ethanol
CID 146845725
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
3-[bis(2-hydroxyethyl)amino]propylazanium
CID 3282904
3-[2-hydroxyethyl(3-hydroxypropyl)amino]propan-1-ol;methane
CID 158407678
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol?
The IUPAC name of 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol (CID 167681274) is 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol.
What is the SMILES notation for 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol?
The canonical SMILES for 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol is COC(CCCN(CCO)CCCC(OC)(OC)OC)(OC)OC.
What is the InChIKey of 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol?
The InChIKey is ZSRHIOPGHJIWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO7/c1-19-15(20-2,21-3)9-7-11-17(13-14-18)12-8-10-16(22-4,23-5)24-6/h18H,7-14H2,1-6H3.
What are the key properties of 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol?
2-[bis(4,4,4-trimethoxybutyl)amino]ethanol has a molecular weight of 353.46 g/mol, XLogP of 1.03, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4,4,4-trimethoxybutyl)amino]ethanol is sourced from PubChem (CID 167681274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).