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

C14H27NOS — CID 62991793

IUPAC3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCSC2CCOCC2)C1
InChIInChI=1S/C14H27NOS/c1-12-3-2-4-13(11-12)15-7-10-17-14-5-8-16-9-6-14/h12-15H,2-11H2,1H3
InChIKeyQOVFYINFFRIDPJ-UHFFFAOYSA-N
MW257.44 g/mol
LogP3.07
Rot. Bonds5

About 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine

3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine (PubChem CID 62991793) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
PubChem CID62991793
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine
SMILESCC1CCCC(NCCSC2CCOCC2)C1
InChIInChI=1S/C14H27NOS/c1-12-3-2-4-13(11-12)15-7-10-17-14-5-8-16-9-6-14/h12-15H,2-11H2,1H3
InChIKeyQOVFYINFFRIDPJ-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'}

Analyze 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine (CID 62991793) is 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine is CC1CCCC(NCCSC2CCOCC2)C1.
What is the InChIKey of 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
The InChIKey is QOVFYINFFRIDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-12-3-2-4-13(11-12)15-7-10-17-14-5-8-16-9-6-14/h12-15H,2-11H2,1H3.
What are the key properties of 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine?
3-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 3-methyl-N-[2-(oxan-4-ylsulfanyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 62991793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).