1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine

C17H25NS — CID 106653430

IUPAC1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(C)cc1)C1=CCCCC1
InChIInChI=1S/C17H25NS/c1-3-18-17(15-7-5-4-6-8-15)13-19-16-11-9-14(2)10-12-16/h7,9-12,17-18H,3-6,8,13H2,1-2H3
InChIKeyCTQUAZXFWJCEOU-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.57
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine

1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine (PubChem CID 106653430) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
PubChem CID106653430
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine
SMILESCCNC(CSc1ccc(C)cc1)C1=CCCCC1
InChIInChI=1S/C17H25NS/c1-3-18-17(15-7-5-4-6-8-15)13-19-16-11-9-14(2)10-12-16/h7,9-12,17-18H,3-6,8,13H2,1-2H3
InChIKeyCTQUAZXFWJCEOU-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.57
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)-N-ethyl-2-phenylsulfanylethanamine
CID 106653192
2-(2-bromophenyl)sulfanyl-1-(cyclohexen-1-yl)-N-ethylethanamine
CID 106653493
1-(cyclohexen-1-yl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 106653438
1-[(1E)-cycloocten-1-yl]-N-methyl-2-phenylsulfanylethanamine
CID 106653191
1-(cyclohexen-1-yl)-N-ethyl-4-methylpentan-1-amine
CID 62080150
1-(cyclohexen-1-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 62079589
N-ethyl-1-(furan-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 66066591
1-(cyclohexen-1-yl)-N-ethyloctan-1-amine
CID 63506129
1-(cycloocten-1-yl)-N-ethylhexan-1-amine
CID 106656805
1-(cyclohexen-1-yl)-N-ethyl-3-methoxypropan-1-amine
CID 106652652
1-(cyclohexen-1-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106652787
1-(cyclohexen-1-yl)-N-ethyl-2-naphthalen-2-ylethanamine
CID 106657295

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine (CID 106653430) is 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine is CCNC(CSc1ccc(C)cc1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine?
The InChIKey is CTQUAZXFWJCEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-3-18-17(15-7-5-4-6-8-15)13-19-16-11-9-14(2)10-12-16/h7,9-12,17-18H,3-6,8,13H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine?
1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine has a molecular weight of 275.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-ethyl-2-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 106653430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).