N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine

C13H21NS — CID 81028667

IUPACN-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1csc(C)c1
InChIInChI=1S/C13H21NS/c1-10-7-12(9-15-10)13-6-4-3-5-11(13)8-14-2/h7,9,11,13-14H,3-6,8H2,1-2H3
InChIKeyOUQHQYXGKCSJRO-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.55
Rot. Bonds3

About N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine

N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine (PubChem CID 81028667) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
PubChem CID81028667
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1c1csc(C)c1
InChIInChI=1S/C13H21NS/c1-10-7-12(9-15-10)13-6-4-3-5-11(13)8-14-2/h7,9,11,13-14H,3-6,8H2,1-2H3
InChIKeyOUQHQYXGKCSJRO-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine (CID 81028667) is N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine is CNCC1CCCCC1c1csc(C)c1.
What is the InChIKey of N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
The InChIKey is OUQHQYXGKCSJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10-7-12(9-15-10)13-6-4-3-5-11(13)8-14-2/h7,9,11,13-14H,3-6,8H2,1-2H3.
What are the key properties of N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine?
N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine has a molecular weight of 223.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81028667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).