N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine

C16H34N2S — CID 118585232

IUPACN'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H34N2S/c1-16(2,3)18(12-10-17-11-13-19-4)14-15-8-6-5-7-9-15/h15,17H,5-14H2,1-4H3
InChIKeyVZVFDLGZRXFXTH-UHFFFAOYSA-N
MW286.53 g/mol
LogP3.62
Rot. Bonds8

About N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585232) has the molecular formula C16H34N2S and a molecular weight of 286.53 g/mol. Its IUPAC name is N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585232
Molecular FormulaC16H34N2S
Molecular Weight286.53 g/mol
Exact Mass286.24
IUPAC NameN'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCCC1)C(C)(C)C
InChIInChI=1S/C16H34N2S/c1-16(2,3)18(12-10-17-11-13-19-4)14-15-8-6-5-7-9-15/h15,17H,5-14H2,1-4H3
InChIKeyVZVFDLGZRXFXTH-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)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'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585232) is N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN(CC1CCCCC1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is VZVFDLGZRXFXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2S/c1-16(2,3)18(12-10-17-11-13-19-4)14-15-8-6-5-7-9-15/h15,17H,5-14H2,1-4H3.
What are the key properties of N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 286.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-(cyclohexylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).