2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol

C12H29N3O3 — CID 139832314

IUPAC2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
SMILESCN(CCO)CCN(CCO)CCN(C)CCO
InChIInChI=1S/C12H29N3O3/c1-13(7-10-16)3-5-15(9-12-18)6-4-14(2)8-11-17/h16-18H,3-12H2,1-2H3
InChIKeyTXBKZUNSZYMRCN-UHFFFAOYSA-N
MW263.38 g/mol
LogP-1.87
Rot. Bonds12

About 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol

2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol (PubChem CID 139832314) has the molecular formula C12H29N3O3 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
PubChem CID139832314
Molecular FormulaC12H29N3O3
Molecular Weight263.38 g/mol
Exact Mass263.22
IUPAC Name2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
SMILESCN(CCO)CCN(CCO)CCN(C)CCO
InChIInChI=1S/C12H29N3O3/c1-13(7-10-16)3-5-15(9-12-18)6-4-14(2)8-11-17/h16-18H,3-12H2,1-2H3
InChIKeyTXBKZUNSZYMRCN-UHFFFAOYSA-N
XLogP-1.87
TPSA70.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
2-[2-[2-[2-[2-[2-[2-[2-[bis[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-[2-[butyl(methyl)amino]ethyl]amino]ethyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-(2-hydroxyethyl)amino]ethyl-methylamino]ethyl-methylamino]ethanol;2-[2-[2-hydroxyethyl(methyl)amino]ethyl-methylamino]ethanol;methane
CID 161429573
2-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 22056833
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[2-hydroxyethyl-[2-[methyl(2-piperidin-1-ylethyl)amino]ethyl]amino]ethanol
CID 139832270
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol (CID 139832314) is 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol is CN(CCO)CCN(CCO)CCN(C)CCO.
What is the InChIKey of 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol?
The InChIKey is TXBKZUNSZYMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3O3/c1-13(7-10-16)3-5-15(9-12-18)6-4-14(2)8-11-17/h16-18H,3-12H2,1-2H3.
What are the key properties of 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol?
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol has a molecular weight of 263.38 g/mol, XLogP of -1.87, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol is sourced from PubChem (CID 139832314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).