2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine

C10H22N2S — CID 112663651

IUPAC2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
SMILESCSCCN(C)C1CCCCC1N
InChIInChI=1S/C10H22N2S/c1-12(7-8-13-2)10-6-4-3-5-9(10)11/h9-10H,3-8,11H2,1-2H3
InChIKeyJYZYVNGFCOGTID-UHFFFAOYSA-N
MW202.37 g/mol
LogP1.55
Rot. Bonds4

About 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine

2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine (PubChem CID 112663651) has the molecular formula C10H22N2S and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
PubChem CID112663651
Molecular FormulaC10H22N2S
Molecular Weight202.37 g/mol
Exact Mass202.15
IUPAC Name2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
SMILESCSCCN(C)C1CCCCC1N
InChIInChI=1S/C10H22N2S/c1-12(7-8-13-2)10-6-4-3-5-9(10)11/h9-10H,3-8,11H2,1-2H3
InChIKeyJYZYVNGFCOGTID-UHFFFAOYSA-N
XLogP1.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine (CID 112663651) is 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine is CSCCN(C)C1CCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine?
The InChIKey is JYZYVNGFCOGTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2S/c1-12(7-8-13-2)10-6-4-3-5-9(10)11/h9-10H,3-8,11H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine?
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine has a molecular weight of 202.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 112663651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).