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

C17H29NOS — CID 80526184

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(C)(C)c2cccs2)C1(C)CC
InChIInChI=1S/C17H29NOS/c1-6-17(5)13(11-14(17)19-7-2)18-12-16(3,4)15-9-8-10-20-15/h8-10,13-14,18H,6-7,11-12H2,1-5H3
InChIKeyKRQONCSUWBOBIS-UHFFFAOYSA-N
MW295.49 g/mol
LogP4.21
Rot. Bonds7

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

3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine (PubChem CID 80526184) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
PubChem CID80526184
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
SMILESCCOC1CC(NCC(C)(C)c2cccs2)C1(C)CC
InChIInChI=1S/C17H29NOS/c1-6-17(5)13(11-14(17)19-7-2)18-12-16(3,4)15-9-8-10-20-15/h8-10,13-14,18H,6-7,11-12H2,1-5H3
InChIKeyKRQONCSUWBOBIS-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclobutan-1-amine
CID 65167740
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
CID 107229736
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
CID 65170411
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine (CID 80526184) is 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine is CCOC1CC(NCC(C)(C)c2cccs2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
The InChIKey is KRQONCSUWBOBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-6-17(5)13(11-14(17)19-7-2)18-12-16(3,4)15-9-8-10-20-15/h8-10,13-14,18H,6-7,11-12H2,1-5H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 80526184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).