2-[bis(1-aminopropyl)amino]ethanol

C8H21N3O — CID 57070076

IUPAC2-[bis(1-aminopropyl)amino]ethanol
SMILESCCC(N)N(CCO)C(N)CC
InChIInChI=1S/C8H21N3O/c1-3-7(9)11(5-6-12)8(10)4-2/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyNPKOPIIBNNIGGK-UHFFFAOYSA-N
MW175.28 g/mol
LogP-0.33
Rot. Bonds6

About 2-[bis(1-aminopropyl)amino]ethanol

2-[bis(1-aminopropyl)amino]ethanol (PubChem CID 57070076) has the molecular formula C8H21N3O and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-[bis(1-aminopropyl)amino]ethanol.

Molecular Properties

Compound Name2-[bis(1-aminopropyl)amino]ethanol
PubChem CID57070076
Molecular FormulaC8H21N3O
Molecular Weight175.28 g/mol
Exact Mass175.17
IUPAC Name2-[bis(1-aminopropyl)amino]ethanol
SMILESCCC(N)N(CCO)C(N)CC
InChIInChI=1S/C8H21N3O/c1-3-7(9)11(5-6-12)8(10)4-2/h7-8,12H,3-6,9-10H2,1-2H3
InChIKeyNPKOPIIBNNIGGK-UHFFFAOYSA-N
XLogP-0.33
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(1-aminopropyl)amino]ethanol?
The IUPAC name of 2-[bis(1-aminopropyl)amino]ethanol (CID 57070076) is 2-[bis(1-aminopropyl)amino]ethanol.
What is the SMILES notation for 2-[bis(1-aminopropyl)amino]ethanol?
The canonical SMILES for 2-[bis(1-aminopropyl)amino]ethanol is CCC(N)N(CCO)C(N)CC.
What is the InChIKey of 2-[bis(1-aminopropyl)amino]ethanol?
The InChIKey is NPKOPIIBNNIGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3O/c1-3-7(9)11(5-6-12)8(10)4-2/h7-8,12H,3-6,9-10H2,1-2H3.
What are the key properties of 2-[bis(1-aminopropyl)amino]ethanol?
2-[bis(1-aminopropyl)amino]ethanol has a molecular weight of 175.28 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(1-aminopropyl)amino]ethanol is sourced from PubChem (CID 57070076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).