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

C8H21N3O2 — CID 19091200

IUPAC1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCNCCN)C(C)O
InChIInChI=1S/C8H21N3O2/c1-7(12)11(8(2)13)6-5-10-4-3-9/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyWRVNRGZRENRDCB-UHFFFAOYSA-N
MW191.27 g/mol
LogP-1.49
Rot. Bonds7

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

1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol (PubChem CID 19091200) has the molecular formula C8H21N3O2 and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
PubChem CID19091200
Molecular FormulaC8H21N3O2
Molecular Weight191.27 g/mol
Exact Mass191.16
IUPAC Name1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol
SMILESCC(O)N(CCNCCN)C(C)O
InChIInChI=1S/C8H21N3O2/c1-7(12)11(8(2)13)6-5-10-4-3-9/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyWRVNRGZRENRDCB-UHFFFAOYSA-N
XLogP-1.49
TPSA81.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
The IUPAC name of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol (CID 19091200) is 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
The canonical SMILES for 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol is CC(O)N(CCNCCN)C(C)O.
What is the InChIKey of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
The InChIKey is WRVNRGZRENRDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O2/c1-7(12)11(8(2)13)6-5-10-4-3-9/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol?
1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol has a molecular weight of 191.27 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethylamino)ethyl-(1-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 19091200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).