2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol

C19H42N2O4 — CID 59966457

IUPAC2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCCC(CCCC)(CN(CCO)CCO)CN(CCO)CCO
InChIInChI=1S/C19H42N2O4/c1-3-5-7-19(8-6-4-2,17-20(9-13-22)10-14-23)18-21(11-15-24)12-16-25/h22-25H,3-18H2,1-2H3
InChIKeyVOFKEGWSYZXENF-UHFFFAOYSA-N
MW362.56 g/mol
LogP0.93
Rot. Bonds18

About 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 59966457) has the molecular formula C19H42N2O4 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID59966457
Molecular FormulaC19H42N2O4
Molecular Weight362.56 g/mol
Exact Mass362.31
IUPAC Name2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCCC(CCCC)(CN(CCO)CCO)CN(CCO)CCO
InChIInChI=1S/C19H42N2O4/c1-3-5-7-19(8-6-4-2,17-20(9-13-22)10-14-23)18-21(11-15-24)12-16-25/h22-25H,3-18H2,1-2H3
InChIKeyVOFKEGWSYZXENF-UHFFFAOYSA-N
XLogP0.93
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
4,4-dibutyloctan-1-ol
CID 58892760
2-[butyl(2-hydroxyethyl)amino]ethanol;titanium
CID 174575595
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-dipentylpentan-1-amine
CID 158613342
2-[(dipentylamino)methyl]-2-ethylpropane-1,3-diol
CID 54545518
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056370
2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
CID 88801518
2-[2-hydroxyethyl(icosyl)amino]ethanol
CID 14389687
2-[2-hydroxyethyl(octacosyl)amino]ethanol
CID 18358549
N',N',2,2-tetrakis-decylpropane-1,3-diamine
CID 151621553
2-[butyl(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(octadecyl)amino]ethanol
CID 161305073

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol (CID 59966457) is 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol is CCCCC(CCCC)(CN(CCO)CCO)CN(CCO)CCO.
What is the InChIKey of 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VOFKEGWSYZXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O4/c1-3-5-7-19(8-6-4-2,17-20(9-13-22)10-14-23)18-21(11-15-24)12-16-25/h22-25H,3-18H2,1-2H3.
What are the key properties of 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 362.56 g/mol, XLogP of 0.93, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 59966457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).