3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

C14H24N2OS — CID 64852133

IUPAC3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nc(C)cs2)C1(C)C
InChIInChI=1S/C14H24N2OS/c1-6-17-12-7-11(14(12,4)5)16-10(3)13-15-9(2)8-18-13/h8,10-12,16H,6-7H2,1-5H3
InChIKeyJXUMNWYTPUPLSA-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.31
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 64852133) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID64852133
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2nc(C)cs2)C1(C)C
InChIInChI=1S/C14H24N2OS/c1-6-17-12-7-11(14(12,4)5)16-10(3)13-15-9(2)8-18-13/h8,10-12,16H,6-7H2,1-5H3
InChIKeyJXUMNWYTPUPLSA-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 64852133) is 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is CCOC1CC(NC(C)c2nc(C)cs2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is JXUMNWYTPUPLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-6-17-12-7-11(14(12,4)5)16-10(3)13-15-9(2)8-18-13/h8,10-12,16H,6-7H2,1-5H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64852133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).