2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride

C7H20Cl2N2O — CID 21254466

IUPAC2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
SMILESCN(C)CCCNCCO.Cl.Cl
InChIInChI=1S/C7H18N2O.2ClH/c1-9(2)6-3-4-8-5-7-10;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKeyQWJUEZXNLXTULQ-UHFFFAOYSA-N
MW219.16 g/mol
LogP0.36
Rot. Bonds6

About 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride

2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride (PubChem CID 21254466) has the molecular formula C7H20Cl2N2O and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
PubChem CID21254466
Molecular FormulaC7H20Cl2N2O
Molecular Weight219.16 g/mol
Exact Mass218.10
IUPAC Name2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride
SMILESCN(C)CCCNCCO.Cl.Cl
InChIInChI=1S/C7H18N2O.2ClH/c1-9(2)6-3-4-8-5-7-10;;/h8,10H,3-7H2,1-2H3;2*1H
InChIKeyQWJUEZXNLXTULQ-UHFFFAOYSA-N
XLogP0.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-bis[3-(dimethylamino)propyl]propane-1,3-diamine
CID 10999288
N',N'-dimethyl-N-pentylpropane-1,3-diamine;hydrochloride
CID 174617187
2-[2-[hydroxy(methyl)amino]ethylamino]ethanol
CID 142832641
2-(dimethylamino)ethanol;2-(ethylamino)ethanol
CID 88639908
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N-(3-methoxypropyl)-N',N'-dimethylpropane-1,3-diamine
CID 60925630
N-(6-iodohexyl)-N',N'-dimethylpropane-1,3-diamine
CID 107845044
2-[2-(2-hydroxyethylamino)ethylamino]ethanol;dihydrochloride
CID 87137347
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
3-[3-(dimethylamino)propylamino]-N-methylpropanamide
CID 62325498
3-(dimethylamino)propan-1-ol;ethane
CID 142056104

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride (CID 21254466) is 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride is CN(C)CCCNCCO.Cl.Cl.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride?
The InChIKey is QWJUEZXNLXTULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O.2ClH/c1-9(2)6-3-4-8-5-7-10;;/h8,10H,3-7H2,1-2H3;2*1H.
What are the key properties of 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride?
2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride has a molecular weight of 219.16 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]ethanol;dihydrochloride is sourced from PubChem (CID 21254466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).