3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

C13H22N2OS — CID 65169503

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2cscn2)C1(C)CC
InChIInChI=1S/C13H22N2OS/c1-4-13(3)11(6-12(13)16-5-2)14-7-10-8-17-9-15-10/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyQZOCOAWMRDZDSD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.83
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (PubChem CID 65169503) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
PubChem CID65169503
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
SMILESCCOC1CC(NCc2cscn2)C1(C)CC
InChIInChI=1S/C13H22N2OS/c1-4-13(3)11(6-12(13)16-5-2)14-7-10-8-17-9-15-10/h8-9,11-12,14H,4-7H2,1-3H3
InChIKeyQZOCOAWMRDZDSD-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2H-tetrazol-5-ylmethyl)cyclobutan-1-amine
CID 65169439
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 79237350
[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
CID 107229736
5-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 65168199
3-ethoxy-N-(2-ethoxyethyl)-2-ethyl-2-methylcyclobutan-1-amine
CID 65167908
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
3-ethoxy-2-ethyl-2-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclobutan-1-amine
CID 65167802
3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 115971767
N-but-3-ynyl-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65169189
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
CID 107679223

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine (CID 65169503) is 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is CCOC1CC(NCc2cscn2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
The InChIKey is QZOCOAWMRDZDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-13(3)11(6-12(13)16-5-2)14-7-10-8-17-9-15-10/h8-9,11-12,14H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.83, 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-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 65169503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).