4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine

C18H23NS — CID 65080513

IUPAC4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine
SMILESCC1CCCC(Nc2ccccc2-c2cccs2)CC1
InChIInChI=1S/C18H23NS/c1-14-6-4-7-15(12-11-14)19-17-9-3-2-8-16(17)18-10-5-13-20-18/h2-3,5,8-10,13-15,19H,4,6-7,11-12H2,1H3
InChIKeyOTFSGPFXMQGZRA-UHFFFAOYSA-N
MW285.46 g/mol
LogP5.80
Rot. Bonds3

About 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine

4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine (PubChem CID 65080513) has the molecular formula C18H23NS and a molecular weight of 285.46 g/mol. Its IUPAC name is 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine
PubChem CID65080513
Molecular FormulaC18H23NS
Molecular Weight285.46 g/mol
Exact Mass285.16
IUPAC Name4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine
SMILESCC1CCCC(Nc2ccccc2-c2cccs2)CC1
InChIInChI=1S/C18H23NS/c1-14-6-4-7-15(12-11-14)19-17-9-3-2-8-16(17)18-10-5-13-20-18/h2-3,5,8-10,13-15,19H,4,6-7,11-12H2,1H3
InChIKeyOTFSGPFXMQGZRA-UHFFFAOYSA-N
XLogP5.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine?
The IUPAC name of 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine (CID 65080513) is 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine.
What is the SMILES notation for 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine?
The canonical SMILES for 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine is CC1CCCC(Nc2ccccc2-c2cccs2)CC1.
What is the InChIKey of 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine?
The InChIKey is OTFSGPFXMQGZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS/c1-14-6-4-7-15(12-11-14)19-17-9-3-2-8-16(17)18-10-5-13-20-18/h2-3,5,8-10,13-15,19H,4,6-7,11-12H2,1H3.
What are the key properties of 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine?
4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine has a molecular weight of 285.46 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine is sourced from PubChem (CID 65080513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).