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

C9H22N2O2 — CID 22058011

IUPAC3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
SMILESCN(C)CCCN(C)CC(O)CO
InChIInChI=1S/C9H22N2O2/c1-10(2)5-4-6-11(3)7-9(13)8-12/h9,12-13H,4-8H2,1-3H3
InChIKeyNESOEDOGVGVPNR-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.78
Rot. Bonds7

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

3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol (PubChem CID 22058011) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
PubChem CID22058011
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
SMILESCN(C)CCCN(C)CC(O)CO
InChIInChI=1S/C9H22N2O2/c1-10(2)5-4-6-11(3)7-9(13)8-12/h9,12-13H,4-8H2,1-3H3
InChIKeyNESOEDOGVGVPNR-UHFFFAOYSA-N
XLogP-0.78
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol (CID 22058011) is 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol is CN(C)CCCN(C)CC(O)CO.
What is the InChIKey of 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol?
The InChIKey is NESOEDOGVGVPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-10(2)5-4-6-11(3)7-9(13)8-12/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol?
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol has a molecular weight of 190.29 g/mol, XLogP of -0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 22058011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).