cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine

C15H19NS — CID 106657385

IUPACcyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H19NS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h4-6,8-9,14-15H,1-3,7,10,16H2
InChIKeyXSTXZMNAIICKEZ-UHFFFAOYSA-N
MW245.39 g/mol
LogP3.53
Rot. Bonds2

About cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine

cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine (PubChem CID 106657385) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
PubChem CID106657385
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Namecyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine
SMILESNC(C1=CCCCC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H19NS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h4-6,8-9,14-15H,1-3,7,10,16H2
InChIKeyXSTXZMNAIICKEZ-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 53.53
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

[cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106650324
cyclopenten-1-yl(2,3-dihydro-1H-inden-2-yl)methanamine
CID 106892741
2,3-dihydro-1-benzothiophen-2-yl-(4-fluorophenyl)methanamine
CID 105087837
cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 106657047
2,3-dihydro-1-benzothiophen-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 105146408
2,3-dihydro-1-benzothiophen-2-yl-(3,5-dimethylphenyl)methanamine
CID 105096694
2,3-dihydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 105154978
2,3-dihydro-1-benzothiophen-2-yl-(4-propylphenyl)methanamine
CID 105144289
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 105152342
(3,4-difluorophenyl)-(2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 105145502
2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methanamine
CID 105098031
2,3-dihydro-1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105143996

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine (CID 106657385) is cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine is NC(C1=CCCCC1)C1Cc2ccccc2S1.
What is the InChIKey of cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
The InChIKey is XSTXZMNAIICKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h4-6,8-9,14-15H,1-3,7,10,16H2.
What are the key properties of cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine?
cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine has a molecular weight of 245.39 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(2,3-dihydro-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 106657385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).