1-(5-ethylthiophen-3-yl)cyclohexan-1-amine

C12H19NS — CID 59599300

IUPAC1-(5-ethylthiophen-3-yl)cyclohexan-1-amine
SMILESCCc1cc(C2(N)CCCCC2)cs1
InChIInChI=1S/C12H19NS/c1-2-11-8-10(9-14-11)12(13)6-4-3-5-7-12/h8-9H,2-7,13H2,1H3
InChIKeyCIURRLWKSKGGOT-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.43
Rot. Bonds2

About 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine

1-(5-ethylthiophen-3-yl)cyclohexan-1-amine (PubChem CID 59599300) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-ethylthiophen-3-yl)cyclohexan-1-amine
PubChem CID59599300
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(5-ethylthiophen-3-yl)cyclohexan-1-amine
SMILESCCc1cc(C2(N)CCCCC2)cs1
InChIInChI=1S/C12H19NS/c1-2-11-8-10(9-14-11)12(13)6-4-3-5-7-12/h8-9H,2-7,13H2,1H3
InChIKeyCIURRLWKSKGGOT-UHFFFAOYSA-N
XLogP3.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine (CID 59599300) is 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine is CCc1cc(C2(N)CCCCC2)cs1.
What is the InChIKey of 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine?
The InChIKey is CIURRLWKSKGGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-2-11-8-10(9-14-11)12(13)6-4-3-5-7-12/h8-9H,2-7,13H2,1H3.
What are the key properties of 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine?
1-(5-ethylthiophen-3-yl)cyclohexan-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 59599300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).