2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol

C14H33N3O4 — CID 139832318

IUPAC2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESCCN(CCN(CCO)CCO)CCN(CCO)CCO
InChIInChI=1S/C14H33N3O4/c1-2-15(3-5-16(7-11-18)8-12-19)4-6-17(9-13-20)10-14-21/h18-21H,2-14H2,1H3
InChIKeyVAKBXMHQIHPQTO-UHFFFAOYSA-N
MW307.44 g/mol
LogP-2.12
Rot. Bonds15

About 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol

2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 139832318) has the molecular formula C14H33N3O4 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
PubChem CID139832318
Molecular FormulaC14H33N3O4
Molecular Weight307.44 g/mol
Exact Mass307.25
IUPAC Name2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
SMILESCCN(CCN(CCO)CCO)CCN(CCO)CCO
InChIInChI=1S/C14H33N3O4/c1-2-15(3-5-16(7-11-18)8-12-19)4-6-17(9-13-20)10-14-21/h18-21H,2-14H2,1H3
InChIKeyVAKBXMHQIHPQTO-UHFFFAOYSA-N
XLogP-2.12
TPSA90.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[bis(2-hydroxyethyl)amino]ethanol;N,N-diethylethanamine;nickel(2+);dichloride
CID 159789530
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
bis(2-(diethylamino)ethanol);bis(iodocopper(1+))
CID 6397704
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617
2-[2-chloroethyl(ethyl)amino]ethanol;hydrochloride
CID 24837985
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol (CID 139832318) is 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol is CCN(CCN(CCO)CCO)CCN(CCO)CCO.
What is the InChIKey of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VAKBXMHQIHPQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O4/c1-2-15(3-5-16(7-11-18)8-12-19)4-6-17(9-13-20)10-14-21/h18-21H,2-14H2,1H3.
What are the key properties of 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol?
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 307.44 g/mol, XLogP of -2.12, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 139832318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).