2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol

C14H32N2O3 — CID 141165462

IUPAC2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol
SMILESCCC(COCC(CC)N(C)CCO)N(C)CCO
InChIInChI=1S/C14H32N2O3/c1-5-13(15(3)7-9-17)11-19-12-14(6-2)16(4)8-10-18/h13-14,17-18H,5-12H2,1-4H3
InChIKeyZKBWDBKKGANHTF-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.41
Rot. Bonds12

About 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol

2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol (PubChem CID 141165462) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol.

Molecular Properties

Compound Name2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol
PubChem CID141165462
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol
SMILESCCC(COCC(CC)N(C)CCO)N(C)CCO
InChIInChI=1S/C14H32N2O3/c1-5-13(15(3)7-9-17)11-19-12-14(6-2)16(4)8-10-18/h13-14,17-18H,5-12H2,1-4H3
InChIKeyZKBWDBKKGANHTF-UHFFFAOYSA-N
XLogP0.41
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol with MolForge

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Related Compounds

3-[2-hydroxyethyl(methyl)amino]pentanoic acid
CID 112708683
3-[2-hydroxyethyl(methyl)amino]pentanethioamide
CID 60960763
3-(dimethylamino)-4-[2-(dimethylamino)-4-hydroxybutoxy]butan-1-ol
CID 88653652
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol
CID 22160999
5-[1-aminobutan-2-yl(methyl)amino]pentan-1-ol
CID 107198475
4-[1-methoxybutan-2-yl(methyl)amino]butanoic acid
CID 65067772
N,N'-dimethyl-N-[2-[methyl(pentan-3-yl)amino]ethyl]-N'-pentan-3-ylethane-1,2-diamine
CID 159293818
2-[butan-2-yl(pentan-3-yl)amino]ethanol
CID 62016641
2-[ethyl(2-hydroxyethyl)amino]butan-1-ol
CID 87456981
N'-[1-[2-[2-(dimethylamino)ethyl-methylamino]nonoxy]nonan-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 139919614
(2S)-2-ethoxy-4-[2-hydroxyethyl(methyl)amino]hexan-3-ol
CID 134314881

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol?
The IUPAC name of 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol (CID 141165462) is 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol.
What is the SMILES notation for 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol?
The canonical SMILES for 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol is CCC(COCC(CC)N(C)CCO)N(C)CCO.
What is the InChIKey of 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol?
The InChIKey is ZKBWDBKKGANHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-5-13(15(3)7-9-17)11-19-12-14(6-2)16(4)8-10-18/h13-14,17-18H,5-12H2,1-4H3.
What are the key properties of 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol?
2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol has a molecular weight of 276.42 g/mol, XLogP of 0.41, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-hydroxyethyl(methyl)amino]butoxy]butan-2-yl-methylamino]ethanol is sourced from PubChem (CID 141165462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).