3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

C16H27NOS — CID 64852889

IUPAC3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(c2cccs2)C(C)C)C1(C)C
InChIInChI=1S/C16H27NOS/c1-6-18-14-10-13(16(14,4)5)17-15(11(2)3)12-8-7-9-19-12/h7-9,11,13-15,17H,6,10H2,1-5H3
InChIKeyYFJYEGISEVYYSS-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.24
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (PubChem CID 64852889) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
PubChem CID64852889
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(c2cccs2)C(C)C)C1(C)C
InChIInChI=1S/C16H27NOS/c1-6-18-14-10-13(16(14,4)5)17-15(11(2)3)12-8-7-9-19-12/h7-9,11,13-15,17H,6,10H2,1-5H3
InChIKeyYFJYEGISEVYYSS-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64851570
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
3-ethoxy-N-[1-(furan-2-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 64853268
3-ethoxy-N-[(1S)-1-thiophen-2-ylethyl]spiro[3.5]nonan-1-amine
CID 81398155
3-ethoxy-2,2-dimethyl-N-[1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 64852089
3-ethoxy-N-[1-(furan-3-yl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 103784928
N-[1-(4-chlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64688345
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81401968
N-[1-(2,5-dimethylphenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64852507
N-(3-ethoxy-2,2-dimethylcyclobutyl)thiophen-3-amine
CID 66351674
3-ethoxy-2,2-dimethyl-N-[1-(3-nitrophenyl)ethyl]cyclobutan-1-amine
CID 64851923
ethyl 2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]propanoate
CID 64688546

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine (CID 64852889) is 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is CCOC1CC(NC(c2cccs2)C(C)C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
The InChIKey is YFJYEGISEVYYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-6-18-14-10-13(16(14,4)5)17-15(11(2)3)12-8-7-9-19-12/h7-9,11,13-15,17H,6,10H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 64852889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).