2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine

C15H25NS — CID 114457478

IUPAC2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(N)CC2CCCCCC2)s1
InChIInChI=1S/C15H25NS/c1-2-13-9-10-15(17-13)14(16)11-12-7-5-3-4-6-8-12/h9-10,12,14H,2-8,11,16H2,1H3
InChIKeyOYVHGFQZVUDHQU-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.67
Rot. Bonds4

About 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine

2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 114457478) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID114457478
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCc1ccc(C(N)CC2CCCCCC2)s1
InChIInChI=1S/C15H25NS/c1-2-13-9-10-15(17-13)14(16)11-12-7-5-3-4-6-8-12/h9-10,12,14H,2-8,11,16H2,1H3
InChIKeyOYVHGFQZVUDHQU-UHFFFAOYSA-N
XLogP4.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
2-(1-chloro-2-cyclohexylethyl)-5-ethylthiophene
CID 63431273
cycloheptyl-(5-ethylthiophen-2-yl)methanamine
CID 62587234
(R)-cyclopentyl-(5-ethylthiophen-2-yl)methanamine;hydrochloride
CID 171211749
1-(5-tert-butylthiophen-2-yl)-2-cycloheptylethanamine
CID 114457765
1-cyclopentyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 115842609
1-(5-chlorothiophen-2-yl)-2-cyclobutylethanamine
CID 115863512
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313876
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
2-[chloro(cyclobutyl)methyl]-5-ethylthiophene
CID 61082733

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine (CID 114457478) is 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine is CCc1ccc(C(N)CC2CCCCCC2)s1.
What is the InChIKey of 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is OYVHGFQZVUDHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-2-13-9-10-15(17-13)14(16)11-12-7-5-3-4-6-8-12/h9-10,12,14H,2-8,11,16H2,1H3.
What are the key properties of 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine?
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 114457478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).