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

C13H21NS — CID 81016974

IUPAC1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCCc1ccc(CC2CCC2CNC)s1
InChIInChI=1S/C13H21NS/c1-3-12-6-7-13(15-12)8-10-4-5-11(10)9-14-2/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyNKTASPBARLOXOA-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.10
Rot. Bonds5

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

1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine (PubChem CID 81016974) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
PubChem CID81016974
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine
SMILESCCc1ccc(CC2CCC2CNC)s1
InChIInChI=1S/C13H21NS/c1-3-12-6-7-13(15-12)8-10-4-5-11(10)9-14-2/h6-7,10-11,14H,3-5,8-9H2,1-2H3
InChIKeyNKTASPBARLOXOA-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.10
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]cyclohexyl]-N-methylmethanamine
CID 81027975
1-[2-[(5-ethylthiophen-2-yl)methyl]-4,4-dimethylcyclohexyl]-N-methylmethanamine
CID 81030934
N-[[2-[(5-ethylthiophen-2-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034653
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 64907667
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]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
2,5-diethylthiophene
CID 521294
[4-ethyl-2-[(5-ethylthiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011445
3-[(5-ethylthiophen-2-yl)methyl]-2-methylcyclopentan-1-one
CID 64906761

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine (CID 81016974) is 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine is CCc1ccc(CC2CCC2CNC)s1.
What is the InChIKey of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
The InChIKey is NKTASPBARLOXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-3-12-6-7-13(15-12)8-10-4-5-11(10)9-14-2/h6-7,10-11,14H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine?
1-[2-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]-N-methylmethanamine has a molecular weight of 223.38 g/mol, XLogP of 3.10, 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]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 81016974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).