N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine

C14H29NOS — CID 113474207

IUPACN-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCCSCCC1(CNCCOC)CCCCC1
InChIInChI=1S/C14H29NOS/c1-3-17-12-9-14(7-5-4-6-8-14)13-15-10-11-16-2/h15H,3-13H2,1-2H3
InChIKeyWPUHDGLBCCSOOA-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.32
Rot. Bonds9

About N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine

N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine (PubChem CID 113474207) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
PubChem CID113474207
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine
SMILESCCSCCC1(CNCCOC)CCCCC1
InChIInChI=1S/C14H29NOS/c1-3-17-12-9-14(7-5-4-6-8-14)13-15-10-11-16-2/h15H,3-13H2,1-2H3
InChIKeyWPUHDGLBCCSOOA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.32
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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Related Compounds

2-methoxy-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]ethanamine
CID 62723578
N-[[1-(2-ethoxyethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 62723982
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentyl]methyl]ethanamine
CID 104566535
N-[(1-butylcyclobutyl)methyl]-2-methoxyethanamine
CID 65196075
N-[[1-(3-ethylsulfonylpropyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 65097074
2-methoxy-N-[[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566649
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclohexyl]methyl]ethanamine
CID 63195650
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methoxyethanamine
CID 115449017
2-methoxy-N-[[1-(3-methylsulfonylpropyl)cyclobutyl]methyl]ethanamine
CID 65196474
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutyl]methyl]ethanamine
CID 65196621
N-[(1-hexylcyclopropyl)methyl]-2-methoxyethanamine
CID 66026488

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine (CID 113474207) is N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine is CCSCCC1(CNCCOC)CCCCC1.
What is the InChIKey of N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine?
The InChIKey is WPUHDGLBCCSOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-3-17-12-9-14(7-5-4-6-8-14)13-15-10-11-16-2/h15H,3-13H2,1-2H3.
What are the key properties of N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine?
N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine has a molecular weight of 259.46 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylsulfanylethyl)cyclohexyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 113474207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).