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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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).