[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine

C16H27NS — CID 81011445

IUPAC[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESCCc1ccc(CC2CC(CC)CCC2CN)s1
InChIInChI=1S/C16H27NS/c1-3-12-5-6-13(11-17)14(9-12)10-16-8-7-15(4-2)18-16/h7-8,12-14H,3-6,9-11,17H2,1-2H3
InChIKeyGYCXETGTKRDVGK-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.25
Rot. Bonds5

About [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine

[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine (PubChem CID 81011445) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
PubChem CID81011445
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
SMILESCCc1ccc(CC2CC(CC)CCC2CN)s1
InChIInChI=1S/C16H27NS/c1-3-12-5-6-13(11-17)14(9-12)10-16-8-7-15(4-2)18-16/h7-8,12-14H,3-6,9-11,17H2,1-2H3
InChIKeyGYCXETGTKRDVGK-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

[4-ethyl-2-[(4-fluorophenyl)methyl]cyclohexyl]methanamine
CID 81012661
[2-[(4-bromophenyl)methyl]-4-ethylcyclohexyl]methanamine
CID 81012573
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
4-tert-butyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 55188245
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
[4-ethyl-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanamine
CID 81012010
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 64503209
[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011481
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
[2-[[(5-ethylthiophen-2-yl)methylamino]methyl]cyclohexyl]methanamine
CID 106012069

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine (CID 81011445) is [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine is CCc1ccc(CC2CC(CC)CCC2CN)s1.
What is the InChIKey of [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine?
The InChIKey is GYCXETGTKRDVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-3-12-5-6-13(11-17)14(9-12)10-16-8-7-15(4-2)18-16/h7-8,12-14H,3-6,9-11,17H2,1-2H3.
What are the key properties of [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine?
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine has a molecular weight of 265.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 81011445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).