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

C12H26N2S — CID 118585148

IUPACN'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(C)C1CCCCC1
InChIInChI=1S/C12H26N2S/c1-14(10-8-13-9-11-15-2)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyCXFMSBOQHHZVTG-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.20
Rot. Bonds7

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

N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 118585148) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID118585148
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC NameN'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCNCCN(C)C1CCCCC1
InChIInChI=1S/C12H26N2S/c1-14(10-8-13-9-11-15-2)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3
InChIKeyCXFMSBOQHHZVTG-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.20
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'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 118585148) is N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCNCCN(C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is CXFMSBOQHHZVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-14(10-8-13-9-11-15-2)12-6-4-3-5-7-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 230.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 118585148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).