N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine

C15H23NS — CID 116926358

IUPACN-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H23NS/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h5-6,9-10,12,14,16H,3-4,7-8,11H2,1-2H3
InChIKeyWIQCMABCOXSIHU-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.73
Rot. Bonds4

About N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine

N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine (PubChem CID 116926358) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
PubChem CID116926358
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine
SMILESCNC1CCC(Cc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H23NS/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h5-6,9-10,12,14,16H,3-4,7-8,11H2,1-2H3
InChIKeyWIQCMABCOXSIHU-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-tert-butylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926303
N-methyl-4-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 73440193
4-[(4-fluoro-3-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926309
4-[(4-butan-2-ylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926323
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
N-methyl-3-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 64505421
1-methyl-4-[3-[(4-methylsulfanylphenyl)methyl]cyclopentyl]benzene
CID 155216112
N-methyl-4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926389
2-amino-5-[[4-(methylamino)cyclohexyl]methyl]benzenethiol
CID 116998405
1-[[4-(cyclopropylmethyl)phenyl]methyl]-2-methylhydrazine
CID 21255542
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
[4-(methylamino)cyclohexyl]-(4-methylsulfanylphenyl)methanone
CID 116917614

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine (CID 116926358) is N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine is CNC1CCC(Cc2ccc(SC)cc2)CC1.
What is the InChIKey of N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is WIQCMABCOXSIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-16-14-7-3-12(4-8-14)11-13-5-9-15(17-2)10-6-13/h5-6,9-10,12,14,16H,3-4,7-8,11H2,1-2H3.
What are the key properties of N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine?
N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 249.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methylsulfanylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116926358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).