acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol

C14H33N3O8 — CID 173116618

IUPACacetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.NCCN(CCO)CCNCCO
InChIInChI=1S/C8H21N3O2.3C2H4O2/c9-1-4-11(6-8-13)5-2-10-3-7-12;3*1-2(3)4/h10,12-13H,1-9H2;3*1H3,(H,3,4)
InChIKeyQBPMAESAZVZKSK-UHFFFAOYSA-N
MW371.43 g/mol
LogP-1.91
Rot. Bonds9

About acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol

acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol (PubChem CID 173116618) has the molecular formula C14H33N3O8 and a molecular weight of 371.43 g/mol. Its IUPAC name is acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
PubChem CID173116618
Molecular FormulaC14H33N3O8
Molecular Weight371.43 g/mol
Exact Mass371.23
IUPAC Nameacetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol
SMILESCC(=O)O.CC(=O)O.CC(=O)O.NCCN(CCO)CCNCCO
InChIInChI=1S/C8H21N3O2.3C2H4O2/c9-1-4-11(6-8-13)5-2-10-3-7-12;3*1-2(3)4/h10,12-13H,1-9H2;3*1H3,(H,3,4)
InChIKeyQBPMAESAZVZKSK-UHFFFAOYSA-N
XLogP-1.91
TPSA193.65 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 5-1.91
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol
CID 88745312
2-[2-[2-aminoethyl-[2-(hydroxymethylamino)ethyl]amino]ethylamino]ethanol;propane
CID 90906484
2-(2-aminoethylamino)ethanol;2-[bis(2-hydroxyethyl)amino]ethanol
CID 161491174
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
CID 173081890
CID 173081890
2-[2-aminoethyl(2-hydroxyethyl)amino]ethanol;ethane
CID 143379141
methyl 3-[2-[bis(2-aminoethyl)amino]ethylamino]propanoate
CID 102046536
N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
3-[2-aminoethyl(2-hydroxyethyl)amino]-N-methylpropanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]ethyl]amino]propanamide;N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-[2-(2-hydroxyethylamino)ethyl]amino]propanamide;N-dodecyl-6-[[3-(dodecylamino)-3-oxopropyl]-(2-hydroxyethyl)amino]hexanamide;N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 123694229
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-(2-hydroxyethylamino)ethanol
CID 159800308
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
The IUPAC name of acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol (CID 173116618) is acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol.
What is the SMILES notation for acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
The canonical SMILES for acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol is CC(=O)O.CC(=O)O.CC(=O)O.NCCN(CCO)CCNCCO.
What is the InChIKey of acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
The InChIKey is QBPMAESAZVZKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2.3C2H4O2/c9-1-4-11(6-8-13)5-2-10-3-7-12;3*1-2(3)4/h10,12-13H,1-9H2;3*1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol?
acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol has a molecular weight of 371.43 g/mol, XLogP of -1.91, 9 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-[2-aminoethyl(2-hydroxyethyl)amino]ethylamino]ethanol is sourced from PubChem (CID 173116618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).