1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine

C15H25NS — CID 81032227

IUPAC1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2ccc(C)s2)C1
InChIInChI=1S/C15H25NS/c1-4-12-6-7-13(10-16-3)14(9-12)15-8-5-11(2)17-15/h5,8,12-14,16H,4,6-7,9-10H2,1-3H3
InChIKeyZCLQRVCAHRBBSI-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.19
Rot. Bonds4

About 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 81032227) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
PubChem CID81032227
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2ccc(C)s2)C1
InChIInChI=1S/C15H25NS/c1-4-12-6-7-13(10-16-3)14(9-12)15-8-5-11(2)17-15/h5,8,12-14,16H,4,6-7,9-10H2,1-3H3
InChIKeyZCLQRVCAHRBBSI-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 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 ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]methanamine
CID 81011696
N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029796
1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
CID 81031398
N-[[2-(5-methylthiophen-2-yl)cyclopropyl]methyl]cyclopropanamine
CID 62713149
1-[2-(3,4-difluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031851
1-[2-(4-ethoxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 81031773
1-[4-ethyl-2-(2,3,4-trifluorophenyl)cyclohexyl]-N-methylmethanamine
CID 81031996
1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81031868
1-[2-(4-cyclopropyloxyphenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114520506
1-[2-(4-bromo-3-chloro-2-fluorophenyl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 106763857
1-[4-ethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]-N-methylmethanamine
CID 81031706
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114667461

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine (CID 81032227) is 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(c2ccc(C)s2)C1.
What is the InChIKey of 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is ZCLQRVCAHRBBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-12-6-7-13(10-16-3)14(9-12)15-8-5-11(2)17-15/h5,8,12-14,16H,4,6-7,9-10H2,1-3H3.
What are the key properties of 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 251.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81032227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).