N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine

C7H19AlN2O — CID 164754290

IUPACN'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCO[AlH2]
InChIInChI=1S/C7H17N2O.Al.2H/c1-8(2)4-5-9(3)6-7-10;;;/h4-7H2,1-3H3;;;/q-1;+1;;
InChIKeyOPWSTYNMHATFSO-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.96
Rot. Bonds6

About N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 164754290) has the molecular formula C7H19AlN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID164754290
Molecular FormulaC7H19AlN2O
Molecular Weight174.22 g/mol
Exact Mass174.13
IUPAC NameN'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCO[AlH2]
InChIInChI=1S/C7H17N2O.Al.2H/c1-8(2)4-5-9(3)6-7-10;;;/h4-7H2,1-3H3;;;/q-1;+1;;
InChIKeyOPWSTYNMHATFSO-UHFFFAOYSA-N
XLogP-0.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,N'-trimethyl-N'-[2-(3-methylazetidin-3-yl)oxyethyl]ethane-1,2-diamine
CID 102656937
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
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
dichlorocopper;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 15303380
2-(3-alumanyloxypropoxy)-N,N-dimethylethanamine
CID 156656248
propane;N,N,N'-trimethyl-N'-propylethane-1,2-diamine
CID 144610913
N'-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-N'-methylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 23499637
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

Frequently Asked Questions

What is the IUPAC name of N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine (CID 164754290) is N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CCO[AlH2].
What is the InChIKey of N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is OPWSTYNMHATFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O.Al.2H/c1-8(2)4-5-9(3)6-7-10;;;/h4-7H2,1-3H3;;;/q-1;+1;;.
What are the key properties of N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 174.22 g/mol, XLogP of -0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-alumanyloxyethyl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 164754290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).