1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine

C15H25NS — CID 81027975

IUPAC1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(CC2CCCCC2CNC)s1
InChIInChI=1S/C15H25NS/c1-3-14-8-9-15(17-14)10-12-6-4-5-7-13(12)11-16-2/h8-9,12-13,16H,3-7,10-11H2,1-2H3
InChIKeyUBEZWQHARAMOGC-UHFFFAOYSA-N
MW251.44 g/mol
LogP3.88
Rot. Bonds5

About 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine

1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine (PubChem CID 81027975) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
PubChem CID81027975
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine
SMILESCCc1ccc(CC2CCCCC2CNC)s1
InChIInChI=1S/C15H25NS/c1-3-14-8-9-15(17-14)10-12-6-4-5-7-13(12)11-16-2/h8-9,12-13,16H,3-7,10-11H2,1-2H3
InChIKeyUBEZWQHARAMOGC-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]-N-methylmethanamine
CID 81034587
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016974
N-[[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034653
1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030934
[2-[[(5-ethylthiophen-2-yl)methylamino]methyl]cyclohexyl]methanamine
CID 106012069
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
N-methyl-1-[2-(1,3-thiazol-5-ylmethyl)cycloheptyl]methanamine
CID 112645590
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
3-[(5-ethylthiophen-2-yl)methyl]cycloheptan-1-amine
CID 64503209
2,5-diethylthiophene
CID 521294

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine (CID 81027975) is 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine is CCc1ccc(CC2CCCCC2CNC)s1.
What is the InChIKey of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
The InChIKey is UBEZWQHARAMOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-3-14-8-9-15(17-14)10-12-6-4-5-7-13(12)11-16-2/h8-9,12-13,16H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine?
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine has a molecular weight of 251.44 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81027975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).