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

C15H32N2S — CID 118584991

IUPACN'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCCCN(CCNCCSC)C1CCCCC1
InChIInChI=1S/C15H32N2S/c1-3-4-12-17(13-10-16-11-14-18-2)15-8-6-5-7-9-15/h15-16H,3-14H2,1-2H3
InChIKeyFDUGDLUDNVZQAQ-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.37
Rot. Bonds10

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

N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118584991) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118584991
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCCCN(CCNCCSC)C1CCCCC1
InChIInChI=1S/C15H32N2S/c1-3-4-12-17(13-10-16-11-14-18-2)15-8-6-5-7-9-15/h15-16H,3-14H2,1-2H3
InChIKeyFDUGDLUDNVZQAQ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.37
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'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118584991) is N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CCCCN(CCNCCSC)C1CCCCC1.
What is the InChIKey of N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is FDUGDLUDNVZQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-3-4-12-17(13-10-16-11-14-18-2)15-8-6-5-7-9-15/h15-16H,3-14H2,1-2H3.
What are the key properties of N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 272.50 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118584991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).