N-methyl-2-methylsulfanylcyclohexan-1-amine

C8H17NS — CID 14615319

IUPACN-methyl-2-methylsulfanylcyclohexan-1-amine
SMILESCNC1CCCCC1SC
InChIInChI=1S/C8H17NS/c1-9-7-5-3-4-6-8(7)10-2/h7-9H,3-6H2,1-2H3
InChIKeyURGGGMGUQJNKHI-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds2

About N-methyl-2-methylsulfanylcyclohexan-1-amine

N-methyl-2-methylsulfanylcyclohexan-1-amine (PubChem CID 14615319) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylcyclohexan-1-amine
PubChem CID14615319
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-methyl-2-methylsulfanylcyclohexan-1-amine
SMILESCNC1CCCCC1SC
InChIInChI=1S/C8H17NS/c1-9-7-5-3-4-6-8(7)10-2/h7-9H,3-6H2,1-2H3
InChIKeyURGGGMGUQJNKHI-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-methylsulfanylcyclohexan-1-amine (CID 14615319) is N-methyl-2-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfanylcyclohexan-1-amine is CNC1CCCCC1SC.
What is the InChIKey of N-methyl-2-methylsulfanylcyclohexan-1-amine?
The InChIKey is URGGGMGUQJNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-9-7-5-3-4-6-8(7)10-2/h7-9H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-methylsulfanylcyclohexan-1-amine?
N-methyl-2-methylsulfanylcyclohexan-1-amine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 14615319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).