2-[1-(dimethylamino)propylamino]ethanol

C7H18N2O — CID 22055171

IUPAC2-[1-(dimethylamino)propylamino]ethanol
SMILESCCC(NCCO)N(C)C
InChIInChI=1S/C7H18N2O/c1-4-7(9(2)3)8-5-6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyJOQTZLQJUWLPPZ-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.13
Rot. Bonds5

About 2-[1-(dimethylamino)propylamino]ethanol

2-[1-(dimethylamino)propylamino]ethanol (PubChem CID 22055171) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propylamino]ethanol.

Molecular Properties

Compound Name2-[1-(dimethylamino)propylamino]ethanol
PubChem CID22055171
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-[1-(dimethylamino)propylamino]ethanol
SMILESCCC(NCCO)N(C)C
InChIInChI=1S/C7H18N2O/c1-4-7(9(2)3)8-5-6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyJOQTZLQJUWLPPZ-UHFFFAOYSA-N
XLogP-0.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[1-(dimethylamino)propylamino]ethanol?
The IUPAC name of 2-[1-(dimethylamino)propylamino]ethanol (CID 22055171) is 2-[1-(dimethylamino)propylamino]ethanol.
What is the SMILES notation for 2-[1-(dimethylamino)propylamino]ethanol?
The canonical SMILES for 2-[1-(dimethylamino)propylamino]ethanol is CCC(NCCO)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)propylamino]ethanol?
The InChIKey is JOQTZLQJUWLPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-4-7(9(2)3)8-5-6-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 2-[1-(dimethylamino)propylamino]ethanol?
2-[1-(dimethylamino)propylamino]ethanol has a molecular weight of 146.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propylamino]ethanol is sourced from PubChem (CID 22055171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).