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

C11H23NS — CID 28615144

IUPAC4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
SMILESCSCCCNC1CCC(C)CC1
InChIInChI=1S/C11H23NS/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyPIQZQTRXSOGKCV-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds5

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

4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine (PubChem CID 28615144) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
PubChem CID28615144
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
SMILESCSCCCNC1CCC(C)CC1
InChIInChI=1S/C11H23NS/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h10-12H,3-9H2,1-2H3
InChIKeyPIQZQTRXSOGKCV-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
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

1-Thia-4-azaspiro(4.5)decane, 8-methyl-, hydrochloride
CID 208010
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
8-Methyl-1-thia-4-azaspiro[4.5]decane
CID 208011
N-(3-methylsulfanylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43434423
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-(3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434639
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thiolan-3-amine
CID 43730379
N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129689
N-(2-methylsulfanylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755686
N-(2-methyl-3-methylsulfanylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755687

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine (CID 28615144) is 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine is CSCCCNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
The InChIKey is PIQZQTRXSOGKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-10-4-6-11(7-5-10)12-8-3-9-13-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine?
4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 28615144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).