1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C15H25NS — CID 79987761

IUPAC1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCC1CCCC(C(NC)c2sccc2C)C1
InChIInChI=1S/C15H25NS/c1-4-12-6-5-7-13(10-12)14(16-3)15-11(2)8-9-17-15/h8-9,12-14,16H,4-7,10H2,1-3H3
InChIKeyOWDILWDFIZAMIY-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.53
Rot. Bonds4

About 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 79987761) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID79987761
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCCC1CCCC(C(NC)c2sccc2C)C1
InChIInChI=1S/C15H25NS/c1-4-12-6-5-7-13(10-12)14(16-3)15-11(2)8-9-17-15/h8-9,12-14,16H,4-7,10H2,1-3H3
InChIKeyOWDILWDFIZAMIY-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylcyclohexyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 104992362
N-[(3-ethylcyclohexyl)-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 104992458
1-(3-ethylcyclohexyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105156041
1-(3-ethylcyclohexyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 65415754
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
[(3-chloro-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 103408657
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
1-(2,3-dihydrofuran-5-yl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 102651699
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
[(3-methylcyclopentyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105233223
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
CID 130594687

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 79987761) is 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CCC1CCCC(C(NC)c2sccc2C)C1.
What is the InChIKey of 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is OWDILWDFIZAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-4-12-6-5-7-13(10-12)14(16-3)15-11(2)8-9-17-15/h8-9,12-14,16H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 251.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 79987761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).