[2-(dimethylamino)ethyl-methylamino]methanol;ethane

C8H22N2O — CID 145172479

IUPAC[2-(dimethylamino)ethyl-methylamino]methanol;ethane
SMILESCC.CN(C)CCN(C)CO
InChIInChI=1S/C6H16N2O.C2H6/c1-7(2)4-5-8(3)6-9;1-2/h9H,4-6H2,1-3H3;1-2H3
InChIKeyZOTPUYKLOSWGCY-UHFFFAOYSA-N
MW162.28 g/mol
LogP0.46
Rot. Bonds4

About [2-(dimethylamino)ethyl-methylamino]methanol;ethane

[2-(dimethylamino)ethyl-methylamino]methanol;ethane (PubChem CID 145172479) has the molecular formula C8H22N2O and a molecular weight of 162.28 g/mol. Its IUPAC name is [2-(dimethylamino)ethyl-methylamino]methanol;ethane.

Molecular Properties

Compound Name[2-(dimethylamino)ethyl-methylamino]methanol;ethane
PubChem CID145172479
Molecular FormulaC8H22N2O
Molecular Weight162.28 g/mol
Exact Mass162.17
IUPAC Name[2-(dimethylamino)ethyl-methylamino]methanol;ethane
SMILESCC.CN(C)CCN(C)CO
InChIInChI=1S/C6H16N2O.C2H6/c1-7(2)4-5-8(3)6-9;1-2/h9H,4-6H2,1-3H3;1-2H3
InChIKeyZOTPUYKLOSWGCY-UHFFFAOYSA-N
XLogP0.46
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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
2-[2-(dimethylamino)ethyl-(2-hydroxyethyl)amino]ethanol
CID 22056833
2-[2-(dimethylamino)ethyl-methylamino]acetamide
CID 23154890
2-[[2-(dimethylamino)ethyl-methylamino]methyl]propane-1,3-diol
CID 144877436
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
CID 88826921
CID 88826921
CID 173338058
CID 173338058
CID 175787026
CID 175787026
iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
CID 88790410
2-[2-(dimethylamino)ethyl-methylamino]ethyl-dimethylazanium
CID 12973779
dichlorocopper;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 15303380
3-(dimethylamino)propan-1-ol;ethane
CID 142056104

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)ethyl-methylamino]methanol;ethane?
The IUPAC name of [2-(dimethylamino)ethyl-methylamino]methanol;ethane (CID 145172479) is [2-(dimethylamino)ethyl-methylamino]methanol;ethane.
What is the SMILES notation for [2-(dimethylamino)ethyl-methylamino]methanol;ethane?
The canonical SMILES for [2-(dimethylamino)ethyl-methylamino]methanol;ethane is CC.CN(C)CCN(C)CO.
What is the InChIKey of [2-(dimethylamino)ethyl-methylamino]methanol;ethane?
The InChIKey is ZOTPUYKLOSWGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.C2H6/c1-7(2)4-5-8(3)6-9;1-2/h9H,4-6H2,1-3H3;1-2H3.
What are the key properties of [2-(dimethylamino)ethyl-methylamino]methanol;ethane?
[2-(dimethylamino)ethyl-methylamino]methanol;ethane has a molecular weight of 162.28 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)ethyl-methylamino]methanol;ethane is sourced from PubChem (CID 145172479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).