N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine

C12H29N3 — CID 158891423

IUPACN'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCN(C)C(C)(C)C
InChIInChI=1S/C12H29N3/c1-12(2,3)15(7)11-10-14(6)9-8-13(4)5/h8-11H2,1-7H3
InChIKeyJEHBEMGFEZOCSF-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.21
Rot. Bonds6

About N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 158891423) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID158891423
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC NameN'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)CCN(C)C(C)(C)C
InChIInChI=1S/C12H29N3/c1-12(2,3)15(7)11-10-14(6)9-8-13(4)5/h8-11H2,1-7H3
InChIKeyJEHBEMGFEZOCSF-UHFFFAOYSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-tert-butyl-N-[2-[dimethylamino(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 167093285
N,N'-bis[2-[2-[tert-butyl(methyl)amino]ethylsulfanyl]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 174334503
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
dichlorocopper;N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
CID 15303380
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
ethane;propane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 171506447
CID 88826921
CID 88826921
CID 175787026
CID 175787026
CID 173338058
CID 173338058
iron(5+);N,N,N',N'-tetramethylethane-1,2-diamine;pentacyanide
CID 88790410

Frequently Asked Questions

What is the IUPAC name of N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine (CID 158891423) is N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)CCN(C)C(C)(C)C.
What is the InChIKey of N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is JEHBEMGFEZOCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-12(2,3)15(7)11-10-14(6)9-8-13(4)5/h8-11H2,1-7H3.
What are the key properties of N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[tert-butyl(methyl)amino]ethyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 158891423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).