1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine

C14H25NS — CID 106653178

IUPAC1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
SMILESNC(CSC1CCCCC1)C1=CCCCC1
InChIInChI=1S/C14H25NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h7,13-14H,1-6,8-11,15H2
InChIKeyXAOBAWWHWKLZNM-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.88
Rot. Bonds4

About 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine

1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine (PubChem CID 106653178) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
PubChem CID106653178
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Name1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine
SMILESNC(CSC1CCCCC1)C1=CCCCC1
InChIInChI=1S/C14H25NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h7,13-14H,1-6,8-11,15H2
InChIKeyXAOBAWWHWKLZNM-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.88
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
1-(cyclohexen-1-yl)-2-cyclopentylsulfanyl-N-methylethanamine
CID 106653171
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
2-cyclohexylsulfanyl-1-(2,3-dihydrofuran-5-yl)ethanamine
CID 102651642
cyclohepten-1-yl(cyclopentyl)methanamine
CID 62079813
cyclohepten-1-yl(cyclooctyl)methanamine
CID 65018804
1-(cyclohepten-1-yl)-3-methoxypropan-1-amine
CID 106652645
1-[(1E)-cycloocten-1-yl]-2-(4-fluorophenyl)sulfanylethanamine
CID 106653414
1-(cycloocten-1-yl)-2-(oxan-2-yl)ethanamine
CID 106654348
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
[1-(cyclohepten-1-yl)-2-cycloheptylethyl]hydrazine
CID 106650401

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine (CID 106653178) is 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine is NC(CSC1CCCCC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine?
The InChIKey is XAOBAWWHWKLZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c15-14(12-7-3-1-4-8-12)11-16-13-9-5-2-6-10-13/h7,13-14H,1-6,8-11,15H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine?
1-(cyclohexen-1-yl)-2-cyclohexylsulfanylethanamine has a molecular weight of 239.43 g/mol, XLogP of 3.88, 4 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-cyclohexylsulfanylethanamine is sourced from PubChem (CID 106653178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).