acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol

C10H25N3O4 — CID 19091199

IUPACacetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
SMILESCC(=O)O.CC(O)N(CCNCCN)C(C)O
InChIInChI=1S/C8H21N3O2.C2H4O2/c1-7(12)11(8(2)13)6-5-10-4-3-9;1-2(3)4/h7-8,10,12-13H,3-6,9H2,1-2H3;1H3,(H,3,4)
InChIKeyWSAVROAGZVCBCJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP-1.40
Rot. Bonds7

About acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol

acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol (PubChem CID 19091199) has the molecular formula C10H25N3O4 and a molecular weight of 251.33 g/mol. Its IUPAC name is acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Nameacetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
PubChem CID19091199
Molecular FormulaC10H25N3O4
Molecular Weight251.33 g/mol
Exact Mass251.18
IUPAC Nameacetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
SMILESCC(=O)O.CC(O)N(CCNCCN)C(C)O
InChIInChI=1S/C8H21N3O2.C2H4O2/c1-7(12)11(8(2)13)6-5-10-4-3-9;1-2(3)4/h7-8,10,12-13H,3-6,9H2,1-2H3;1H3,(H,3,4)
InChIKeyWSAVROAGZVCBCJ-UHFFFAOYSA-N
XLogP-1.40
TPSA119.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-1.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-aminoethylamino)ethyl-(1,2-diaminoethyl)amino]ethanol
CID 87930243
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;azane;dihydrate
CID 173303961
1-[2-(2-aminoethylamino)ethyl-(1-hydroxypropyl)amino]propan-1-ol
CID 23036601
acetic acid;2-(2-aminoethylamino)ethanol
CID 87485806
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;gadolinium(3+);triacetate
CID 158309087
acetic acid;N'-[2-[2-(ethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 22253788
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;iron(3+);triacetate
CID 172701648
CID 173081890
CID 173081890
acetic acid;N-[2-(2-aminoethylamino)ethyl]hydroxylamine
CID 158884370
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
The IUPAC name of acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol (CID 19091199) is acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol is CC(=O)O.CC(O)N(CCNCCN)C(C)O.
What is the InChIKey of acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
The InChIKey is WSAVROAGZVCBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2.C2H4O2/c1-7(12)11(8(2)13)6-5-10-4-3-9;1-2(3)4/h7-8,10,12-13H,3-6,9H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol has a molecular weight of 251.33 g/mol, XLogP of -1.40, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 19091199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).