N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine

C17H27NS — CID 81026164

IUPACN-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CCSc1ccccc1
InChIInChI=1S/C17H27NS/c1-14-8-9-16(13-18-2)15(12-14)10-11-19-17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3
InChIKeyPPPVKFFLELBAFF-UHFFFAOYSA-N
MW277.48 g/mol
LogP4.44
Rot. Bonds6

About N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine

N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine (PubChem CID 81026164) has the molecular formula C17H27NS and a molecular weight of 277.48 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
PubChem CID81026164
Molecular FormulaC17H27NS
Molecular Weight277.48 g/mol
Exact Mass277.19
IUPAC NameN-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
SMILESCNCC1CCC(C)CC1CCSc1ccccc1
InChIInChI=1S/C17H27NS/c1-14-8-9-16(13-18-2)15(12-14)10-11-19-17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3
InChIKeyPPPVKFFLELBAFF-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine (CID 81026164) is N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine is CNCC1CCC(C)CC1CCSc1ccccc1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
The InChIKey is PPPVKFFLELBAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NS/c1-14-8-9-16(13-18-2)15(12-14)10-11-19-17-6-4-3-5-7-17/h3-7,14-16,18H,8-13H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine?
N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine has a molecular weight of 277.48 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine is sourced from PubChem (CID 81026164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).