1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol

C7H20N4O — CID 57058996

IUPAC1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol
SMILESCC(O)NCNCCNCCN
InChIInChI=1S/C7H20N4O/c1-7(12)11-6-10-5-4-9-3-2-8/h7,9-12H,2-6,8H2,1H3
InChIKeyHPADEYSUDHYUKU-UHFFFAOYSA-N
MW176.26 g/mol
LogP-1.99
Rot. Bonds8

About 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol

1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol (PubChem CID 57058996) has the molecular formula C7H20N4O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol.

Molecular Properties

Compound Name1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol
PubChem CID57058996
Molecular FormulaC7H20N4O
Molecular Weight176.26 g/mol
Exact Mass176.16
IUPAC Name1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol
SMILESCC(O)NCNCCNCCN
InChIInChI=1S/C7H20N4O/c1-7(12)11-6-10-5-4-9-3-2-8/h7,9-12H,2-6,8H2,1H3
InChIKeyHPADEYSUDHYUKU-UHFFFAOYSA-N
XLogP-1.99
TPSA82.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
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)ethylamino]methylamino]ethanol?
The IUPAC name of 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol (CID 57058996) is 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol.
What is the SMILES notation for 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol?
The canonical SMILES for 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol is CC(O)NCNCCNCCN.
What is the InChIKey of 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol?
The InChIKey is HPADEYSUDHYUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4O/c1-7(12)11-6-10-5-4-9-3-2-8/h7,9-12H,2-6,8H2,1H3.
What are the key properties of 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol?
1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol has a molecular weight of 176.26 g/mol, XLogP of -1.99, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-aminoethylamino)ethylamino]methylamino]ethanol is sourced from PubChem (CID 57058996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).