3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine

C12H25NS — CID 115654251

IUPAC3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
SMILESCSCCCCNC1CCCC(C)C1
InChIInChI=1S/C12H25NS/c1-11-6-5-7-12(10-11)13-8-3-4-9-14-2/h11-13H,3-10H2,1-2H3
InChIKeyQMEADVMDUOXDNA-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds6

About 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine

3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine (PubChem CID 115654251) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
PubChem CID115654251
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
SMILESCSCCCCNC1CCCC(C)C1
InChIInChI=1S/C12H25NS/c1-11-6-5-7-12(10-11)13-8-3-4-9-14-2/h11-13H,3-10H2,1-2H3
InChIKeyQMEADVMDUOXDNA-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
3-(6-methylsulfanylhexylamino)cyclohexane-1-carboxylic acid
CID 114125026
N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 60889312
1-N-(3-methylsulfanylpropyl)cyclohexane-1,3-diamine
CID 79459469
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
4-[(3-methylcyclohexyl)amino]butanenitrile
CID 43317904
N-(4-methylsulfanylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 103087754
3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
CID 115653141
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N-(5-methylsulfanylpentyl)oxan-3-amine
CID 104926386

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine (CID 115654251) is 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine is CSCCCCNC1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
The InChIKey is QMEADVMDUOXDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-11-6-5-7-12(10-11)13-8-3-4-9-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine?
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 115654251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).