3-[3-(dimethylamino)propylamino]propane-1,2-diol

C8H20N2O2 — CID 3019950

IUPAC3-[3-(dimethylamino)propylamino]propane-1,2-diol
SMILESCN(C)CCCNCC(O)CO
InChIInChI=1S/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyRXFQHLJNQDJBEG-UHFFFAOYSA-N
MW176.26 g/mol
LogP-1.12
Rot. Bonds7

About 3-[3-(dimethylamino)propylamino]propane-1,2-diol

3-[3-(dimethylamino)propylamino]propane-1,2-diol (PubChem CID 3019950) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]propane-1,2-diol
PubChem CID3019950
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name3-[3-(dimethylamino)propylamino]propane-1,2-diol
SMILESCN(C)CCCNCC(O)CO
InChIInChI=1S/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3
InChIKeyRXFQHLJNQDJBEG-UHFFFAOYSA-N
XLogP-1.12
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(dimethylamino)propylamino]propane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]propane-1,2-diol?
The IUPAC name of 3-[3-(dimethylamino)propylamino]propane-1,2-diol (CID 3019950) is 3-[3-(dimethylamino)propylamino]propane-1,2-diol.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]propane-1,2-diol?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]propane-1,2-diol is CN(C)CCCNCC(O)CO.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]propane-1,2-diol?
The InChIKey is RXFQHLJNQDJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-10(2)5-3-4-9-6-8(12)7-11/h8-9,11-12H,3-7H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propylamino]propane-1,2-diol?
3-[3-(dimethylamino)propylamino]propane-1,2-diol has a molecular weight of 176.26 g/mol, XLogP of -1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]propane-1,2-diol is sourced from PubChem (CID 3019950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).