(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine

C14H23NOS — CID 104989039

IUPAC(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)C2CC(C)CC(C)C2)c1
InChIInChI=1S/C14H23NOS/c1-9-4-10(2)6-11(5-9)14(15)13-7-12(16-3)8-17-13/h7-11,14H,4-6,15H2,1-3H3
InChIKeyIAXLJQOBIQXBHZ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.83
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine

(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine (PubChem CID 104989039) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine
PubChem CID104989039
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)C2CC(C)CC(C)C2)c1
InChIInChI=1S/C14H23NOS/c1-9-4-10(2)6-11(5-9)14(15)13-7-12(16-3)8-17-13/h7-11,14H,4-6,15H2,1-3H3
InChIKeyIAXLJQOBIQXBHZ-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(4-methoxythiophen-2-yl)methanamine
CID 115779094
1-(4-methoxythiophen-2-yl)-2-(oxan-4-yl)ethanamine
CID 115847041
1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 115832999
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
CID 104988937
1-(4-methoxythiophen-2-yl)octan-1-amine
CID 115832439
1-(4-methoxythiophen-2-yl)ethanol
CID 115840733
5,5,5-trifluoro-1-(4-methoxythiophen-2-yl)pentan-1-amine
CID 105024285
1-(4-methoxythiophen-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115829185
(3,5-dimethylcyclohexyl)-(5-ethylthiophen-2-yl)methanamine
CID 104989005
(2,6-difluoro-4-methoxyphenyl)-(4-methoxythiophen-2-yl)methanamine
CID 81126677
2-(2,6-dimethylphenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 105024721
(4-methoxythiophen-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 81127367

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine (CID 104989039) is (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)C2CC(C)CC(C)C2)c1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is IAXLJQOBIQXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-9-4-10(2)6-11(5-9)14(15)13-7-12(16-3)8-17-13/h7-11,14H,4-6,15H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine?
(3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 253.41 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 104989039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).