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

C15H32N2S — CID 118585212

IUPACN'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCNCCSC)C1CCCCC1
InChIInChI=1S/C15H32N2S/c1-4-14(2)17(12-10-16-11-13-18-3)15-8-6-5-7-9-15/h14-16H,4-13H2,1-3H3
InChIKeyDCFDXMRXULPPEJ-UHFFFAOYSA-N
MW272.50 g/mol
LogP3.37
Rot. Bonds9

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

N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585212) has the molecular formula C15H32N2S and a molecular weight of 272.50 g/mol. Its IUPAC name is N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585212
Molecular FormulaC15H32N2S
Molecular Weight272.50 g/mol
Exact Mass272.23
IUPAC NameN'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCCC(C)N(CCNCCSC)C1CCCCC1
InChIInChI=1S/C15H32N2S/c1-4-14(2)17(12-10-16-11-13-18-3)15-8-6-5-7-9-15/h14-16H,4-13H2,1-3H3
InChIKeyDCFDXMRXULPPEJ-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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'}

Analyze N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(2-methylsulfanylethyl)cyclohexanamine
CID 21816711
N-[3-(Methylsulfanyl)propyl]cyclohexanamine
CID 28609981
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)ethanamine
CID 54268370
N-methylcyclohexanamine;2-methylsulfanylethanamine
CID 67768391
N-(1-methylsulfanylpropan-2-yl)cyclohexanamine
CID 115721870
N'-cyclopentyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 116094935
N'-cyclopentyl-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118584896
N'-butyl-N'-cyclopentyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584950
N'-cyclopentyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584972
N'-butyl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584991
N'-butyl-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118584994
N'-cyclohexyl-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118585006

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585212) is N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CCC(C)N(CCNCCSC)C1CCCCC1.
What is the InChIKey of N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is DCFDXMRXULPPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2S/c1-4-14(2)17(12-10-16-11-13-18-3)15-8-6-5-7-9-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 272.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-cyclohexyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).