1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine

C13H20ClNS — CID 81031868

IUPAC1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-9-3-4-10(8-15-2)11(7-9)12-5-6-13(14)16-12/h5-6,9-11,15H,3-4,7-8H2,1-2H3
InChIKeyPLLIKWFHZDWSAN-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.14
Rot. Bonds3

About 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine

1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine (PubChem CID 81031868) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
PubChem CID81031868
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine
SMILESCNCC1CCC(C)CC1c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-9-3-4-10(8-15-2)11(7-9)12-5-6-13(14)16-12/h5-6,9-11,15H,3-4,7-8H2,1-2H3
InChIKeyPLLIKWFHZDWSAN-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]methyl]propan-2-amine
CID 81032279
1-[2-(5-chlorothiophen-2-yl)cycloheptyl]-N-methylmethanamine
CID 81025679
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
CID 81014496
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
N-methyl-1-(4-methyl-2-thiophen-3-ylcyclohexyl)methanamine
CID 81032402
N-[[2-(5-chlorothiophen-2-yl)-4-ethylcyclohexyl]methyl]propan-2-amine
CID 81029796
N-[[4-tert-butyl-2-(5-chlorothiophen-2-yl)cyclohexyl]methyl]ethanamine
CID 81031211
1-[4-ethyl-2-(5-methylthiophen-2-yl)cyclohexyl]-N-methylmethanamine
CID 81032227
N-[[2-(5-chlorothiophen-2-yl)cyclopentyl]methyl]ethanamine
CID 81033855
N-[[2-(5-chlorothiophen-2-yl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 81025130
[2-(5-chlorothiophen-2-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012904

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine (CID 81031868) is 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine is CNCC1CCC(C)CC1c1ccc(Cl)s1.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
The InChIKey is PLLIKWFHZDWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-9-3-4-10(8-15-2)11(7-9)12-5-6-13(14)16-12/h5-6,9-11,15H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine?
1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine has a molecular weight of 257.83 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)-4-methylcyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).