2-(3-aminopropylamino)ethanol;dihydrochloride

C5H16Cl2N2O — CID 12519536

IUPAC2-(3-aminopropylamino)ethanol;dihydrochloride
SMILESCl.Cl.NCCCNCCO
InChIInChI=1S/C5H14N2O.2ClH/c6-2-1-3-7-4-5-8;;/h7-8H,1-6H2;2*1H
InChIKeyLPOMPGDOGRIGEN-UHFFFAOYSA-N
MW191.10 g/mol
LogP-0.24
Rot. Bonds5

About 2-(3-aminopropylamino)ethanol;dihydrochloride

2-(3-aminopropylamino)ethanol;dihydrochloride (PubChem CID 12519536) has the molecular formula C5H16Cl2N2O and a molecular weight of 191.10 g/mol. Its IUPAC name is 2-(3-aminopropylamino)ethanol;dihydrochloride.

Molecular Properties

Compound Name2-(3-aminopropylamino)ethanol;dihydrochloride
PubChem CID12519536
Molecular FormulaC5H16Cl2N2O
Molecular Weight191.10 g/mol
Exact Mass190.06
IUPAC Name2-(3-aminopropylamino)ethanol;dihydrochloride
SMILESCl.Cl.NCCCNCCO
InChIInChI=1S/C5H14N2O.2ClH/c6-2-1-3-7-4-5-8;;/h7-8H,1-6H2;2*1H
InChIKeyLPOMPGDOGRIGEN-UHFFFAOYSA-N
XLogP-0.24
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.10
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)ethanol;dihydrochloride?
The IUPAC name of 2-(3-aminopropylamino)ethanol;dihydrochloride (CID 12519536) is 2-(3-aminopropylamino)ethanol;dihydrochloride.
What is the SMILES notation for 2-(3-aminopropylamino)ethanol;dihydrochloride?
The canonical SMILES for 2-(3-aminopropylamino)ethanol;dihydrochloride is Cl.Cl.NCCCNCCO.
What is the InChIKey of 2-(3-aminopropylamino)ethanol;dihydrochloride?
The InChIKey is LPOMPGDOGRIGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O.2ClH/c6-2-1-3-7-4-5-8;;/h7-8H,1-6H2;2*1H.
What are the key properties of 2-(3-aminopropylamino)ethanol;dihydrochloride?
2-(3-aminopropylamino)ethanol;dihydrochloride has a molecular weight of 191.10 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)ethanol;dihydrochloride is sourced from PubChem (CID 12519536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).