4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine

C14H27NOS — CID 55141506

IUPAC4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCSC2CCOCC2)CC1
InChIInChI=1S/C14H27NOS/c1-12-2-4-13(5-3-12)15-8-11-17-14-6-9-16-10-7-14/h12-15H,2-11H2,1H3
InChIKeyRPLKSMNRTUPSLO-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds5

About 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine

4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 55141506) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID55141506
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCC(NCCSC2CCOCC2)CC1
InChIInChI=1S/C14H27NOS/c1-12-2-4-13(5-3-12)15-8-11-17-14-6-9-16-10-7-14/h12-15H,2-11H2,1H3
InChIKeyRPLKSMNRTUPSLO-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine (CID 55141506) is 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine is CC1CCC(NCCSC2CCOCC2)CC1.
What is the InChIKey of 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is RPLKSMNRTUPSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12-2-4-13(5-3-12)15-8-11-17-14-6-9-16-10-7-14/h12-15H,2-11H2,1H3.
What are the key properties of 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine has a molecular weight of 257.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 55141506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).