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

C8H23N5O — CID 87393844

IUPAC1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol
SMILESCC(O)(NCCN)NCCNCCN
InChIInChI=1S/C8H23N5O/c1-8(14,12-5-3-10)13-7-6-11-4-2-9/h11-14H,2-7,9-10H2,1H3
InChIKeyAEDHJVANFHDBDQ-UHFFFAOYSA-N
MW205.31 g/mol
LogP-2.66
Rot. Bonds9

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

1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol (PubChem CID 87393844) has the molecular formula C8H23N5O and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol
PubChem CID87393844
Molecular FormulaC8H23N5O
Molecular Weight205.31 g/mol
Exact Mass205.19
IUPAC Name1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol
SMILESCC(O)(NCCN)NCCNCCN
InChIInChI=1S/C8H23N5O/c1-8(14,12-5-3-10)13-7-6-11-4-2-9/h11-14H,2-7,9-10H2,1H3
InChIKeyAEDHJVANFHDBDQ-UHFFFAOYSA-N
XLogP-2.66
TPSA108.36 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.31
LogP ≤ 5-2.66
H-Bond Donors ≤ 56
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol?
The IUPAC name of 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol (CID 87393844) is 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol.
What is the SMILES notation for 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol?
The canonical SMILES for 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol is CC(O)(NCCN)NCCNCCN.
What is the InChIKey of 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol?
The InChIKey is AEDHJVANFHDBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5O/c1-8(14,12-5-3-10)13-7-6-11-4-2-9/h11-14H,2-7,9-10H2,1H3.
What are the key properties of 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol?
1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol has a molecular weight of 205.31 g/mol, XLogP of -2.66, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-1-[2-(2-aminoethylamino)ethylamino]ethanol is sourced from PubChem (CID 87393844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).