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

C15H32N2S — CID 118585254

IUPACN'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H32N2S/c1-15(2,3)17(11-9-16-10-12-18-4)13-14-7-5-6-8-14/h14,16H,5-13H2,1-4H3
InChIKeyMCEZWPZGPATRNR-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.23
Rot. Bonds8

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

N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585254) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585254
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(CC1CCCC1)C(C)(C)C
InChIInChI=1S/C15H32N2S/c1-15(2,3)17(11-9-16-10-12-18-4)13-14-7-5-6-8-14/h14,16H,5-13H2,1-4H3
InChIKeyMCEZWPZGPATRNR-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585254) is N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN(CC1CCCC1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is MCEZWPZGPATRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-15(2,3)17(11-9-16-10-12-18-4)13-14-7-5-6-8-14/h14,16H,5-13H2,1-4H3.
What are the key properties of N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-tert-butyl-N'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 272.50 g/mol, XLogP of 3.23, 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'-(cyclopentylmethyl)-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).