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

C9H22N2O2 — CID 144877436

IUPAC2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol
SMILESCN(C)CCN(C)CC(CO)CO
InChIInChI=1S/C9H22N2O2/c1-10(2)4-5-11(3)6-9(7-12)8-13/h9,12-13H,4-8H2,1-3H3
InChIKeyIQRDEEBSNAFJEG-UHFFFAOYSA-N
MW190.29 g/mol
LogP-0.92
Rot. Bonds7

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

2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol (PubChem CID 144877436) has the molecular formula C9H22N2O2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol
PubChem CID144877436
Molecular FormulaC9H22N2O2
Molecular Weight190.29 g/mol
Exact Mass190.17
IUPAC Name2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol
SMILESCN(C)CCN(C)CC(CO)CO
InChIInChI=1S/C9H22N2O2/c1-10(2)4-5-11(3)6-9(7-12)8-13/h9,12-13H,4-8H2,1-3H3
InChIKeyIQRDEEBSNAFJEG-UHFFFAOYSA-N
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 59422065
N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 155737980
[2-(dimethylamino)ethyl-methylamino]methanol;ethane
CID 145172479
3-[3-(dimethylamino)propyl-methylamino]propane-1,2-diol
CID 22058011
2-[[methyl(2-methylpropyl)amino]methyl]butan-1-ol
CID 115250601
1-[2-(dimethylamino)ethyl-methylamino]-3-ethoxypropan-2-ol
CID 63932351
N'-[2-(bromomethyl)-3-methylbutyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65016819
1-N-[2-(dimethylamino)ethyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 63694501
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N,N,N'-trimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine;N,N,N',N'-tetramethylethane-1,2-diamine
CID 163585742
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
CID 88826921
CID 88826921

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol (CID 144877436) is 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol is CN(C)CCN(C)CC(CO)CO.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol?
The InChIKey is IQRDEEBSNAFJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2/c1-10(2)4-5-11(3)6-9(7-12)8-13/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol?
2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol has a molecular weight of 190.29 g/mol, XLogP of -0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol is sourced from PubChem (CID 144877436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).