3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine

C14H24N2OS — CID 65167738

IUPAC3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cnc(C)s2)C1(C)CC
InChIInChI=1S/C14H24N2OS/c1-5-14(4)12(7-13(14)17-6-2)16-9-11-8-15-10(3)18-11/h8,12-13,16H,5-7,9H2,1-4H3
InChIKeyBHYAWIKITDSZEW-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.13
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine (PubChem CID 65167738) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
PubChem CID65167738
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cnc(C)s2)C1(C)CC
InChIInChI=1S/C14H24N2OS/c1-5-14(4)12(7-13(14)17-6-2)16-9-11-8-15-10(3)18-11/h8,12-13,16H,5-7,9H2,1-4H3
InChIKeyBHYAWIKITDSZEW-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine (CID 65167738) is 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2cnc(C)s2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
The InChIKey is BHYAWIKITDSZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-14(4)12(7-13(14)17-6-2)16-9-11-8-15-10(3)18-11/h8,12-13,16H,5-7,9H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 65167738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).