N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

C15H28N2S — CID 79482754

IUPACN'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CCNC(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-5-13(3)12-17(6-2)10-9-16-14(4)15-8-7-11-18-15/h7-8,11,13-14,16H,5-6,9-10,12H2,1-4H3
InChIKeyYYNGVCWYCTWKKY-UHFFFAOYSA-N
MW268.47 g/mol
LogP3.77
Rot. Bonds9

About N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79482754) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79482754
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)CCNC(C)c1cccs1
InChIInChI=1S/C15H28N2S/c1-5-13(3)12-17(6-2)10-9-16-14(4)15-8-7-11-18-15/h7-8,11,13-14,16H,5-6,9-10,12H2,1-4H3
InChIKeyYYNGVCWYCTWKKY-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-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'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79482754) is N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is CCC(C)CN(CC)CCNC(C)c1cccs1.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is YYNGVCWYCTWKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-5-13(3)12-17(6-2)10-9-16-14(4)15-8-7-11-18-15/h7-8,11,13-14,16H,5-6,9-10,12H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 268.47 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylbutyl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79482754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).