N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine

C12H19NS — CID 81018114

IUPACN-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1c1csc(C)c1
InChIInChI=1S/C12H19NS/c1-3-13-7-10-4-5-12(10)11-6-9(2)14-8-11/h6,8,10,12-13H,3-5,7H2,1-2H3
InChIKeyPWAJJVCOOKVDKD-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.16
Rot. Bonds4

About N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine

N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine (PubChem CID 81018114) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
PubChem CID81018114
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1c1csc(C)c1
InChIInChI=1S/C12H19NS/c1-3-13-7-10-4-5-12(10)11-6-9(2)14-8-11/h6,8,10,12-13H,3-5,7H2,1-2H3
InChIKeyPWAJJVCOOKVDKD-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81028667
N-[[4,4-dimethyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81030279
N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81026774
2-methyl-N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 81026188
N-[[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81032270
N-[[2-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 81030590
N-[[2-(3,5-dimethylphenyl)cyclopentyl]methyl]ethanamine
CID 81033025
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
2-(5-methylthiophen-3-yl)cyclohexan-1-amine
CID 65104425
[4-methyl-2-(5-methylthiophen-3-yl)cyclohexyl]methanamine
CID 81010311
N-[[2-(4-chloro-3-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81017506
N-[[2-(1-propylpyrazol-4-yl)cyclobutyl]methyl]ethanamine
CID 81018130

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine (CID 81018114) is N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine is CCNCC1CCC1c1csc(C)c1.
What is the InChIKey of N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine?
The InChIKey is PWAJJVCOOKVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-3-13-7-10-4-5-12(10)11-6-9(2)14-8-11/h6,8,10,12-13H,3-5,7H2,1-2H3.
What are the key properties of N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine?
N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-methylthiophen-3-yl)cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81018114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).