N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine

C13H30N2 — CID 82928824

IUPACN-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine
SMILESCCC(CC)CN(C)CCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-12(8-2)11-15(6)10-9-14-13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyZZOGAAQPEFUTAZ-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds7

About N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine

N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine (PubChem CID 82928824) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine
PubChem CID82928824
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine
SMILESCCC(CC)CN(C)CCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-7-12(8-2)11-15(6)10-9-14-13(3,4)5/h12,14H,7-11H2,1-6H3
InChIKeyZZOGAAQPEFUTAZ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine (CID 82928824) is N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine is CCC(CC)CN(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZZOGAAQPEFUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-12(8-2)11-15(6)10-9-14-13(3,4)5/h12,14H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(2-ethylbutyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 82928824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).