1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine

C14H25NS — CID 106653171

IUPAC1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
SMILESCNC(CSC1CCCC1)C1=CCCCC1
InChIInChI=1S/C14H25NS/c1-15-14(12-7-3-2-4-8-12)11-16-13-9-5-6-10-13/h7,13-15H,2-6,8-11H2,1H3
InChIKeySLGWXKSFJSEZKO-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.75
Rot. Bonds5

About 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine

1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine (PubChem CID 106653171) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
PubChem CID106653171
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
SMILESCNC(CSC1CCCC1)C1=CCCCC1
InChIInChI=1S/C14H25NS/c1-15-14(12-7-3-2-4-8-12)11-16-13-9-5-6-10-13/h7,13-15H,2-6,8-11H2,1H3
InChIKeySLGWXKSFJSEZKO-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(cyclohepten-1-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 106649004
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
CID 106653178
1-(cycloocten-1-yl)-2-ethylsulfanyl-N-methylethanamine
CID 106653108
1-(cyclohexen-1-yl)-2-methoxy-N-methylethanamine
CID 106652673
1-(cyclohexen-1-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657398
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
2-cyclopentylsulfanyl-N-methyl-1-pyrimidin-5-ylethanamine
CID 65138669
2-cyclopentylsulfanyl-1-(4-fluorophenyl)-N-methylethanamine
CID 65138724
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-methylethanamine
CID 106653490
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
2-cyclohexylsulfanyl-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 65144434

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine (CID 106653171) is 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine is CNC(CSC1CCCC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine?
The InChIKey is SLGWXKSFJSEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-15-14(12-7-3-2-4-8-12)11-16-13-9-5-6-10-13/h7,13-15H,2-6,8-11H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine?
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine has a molecular weight of 239.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine is sourced from PubChem (CID 106653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).