4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine

C10H21NS — CID 60663692

IUPAC4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCSCCNC1CCC(C)CC1
InChIInChI=1S/C10H21NS/c1-9-3-5-10(6-4-9)11-7-8-12-2/h9-11H,3-8H2,1-2H3
InChIKeyHPVMFBKGSFXSGX-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine

4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (PubChem CID 60663692) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
PubChem CID60663692
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine
SMILESCSCCNC1CCC(C)CC1
InChIInChI=1S/C10H21NS/c1-9-3-5-10(6-4-9)11-7-8-12-2/h9-11H,3-8H2,1-2H3
InChIKeyHPVMFBKGSFXSGX-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine (CID 60663692) is 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is CSCCNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
The InChIKey is HPVMFBKGSFXSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9-3-5-10(6-4-9)11-7-8-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine?
4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)cyclohexan-1-amine is sourced from PubChem (CID 60663692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).