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

C15H26N2OS — CID 64852361

IUPAC2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(C)c2nccs2)C1(C)C
InChIInChI=1S/C15H26N2OS/c1-10(2)9-18-13-8-12(15(13,4)5)17-11(3)14-16-6-7-19-14/h6-7,10-13,17H,8-9H2,1-5H3
InChIKeyXWDXQKNGFJZGIE-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.63
Rot. Bonds6

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

2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (PubChem CID 64852361) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
PubChem CID64852361
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
SMILESCC(C)COC1CC(NC(C)c2nccs2)C1(C)C
InChIInChI=1S/C15H26N2OS/c1-10(2)9-18-13-8-12(15(13,4)5)17-11(3)14-16-6-7-19-14/h6-7,10-13,17H,8-9H2,1-5H3
InChIKeyXWDXQKNGFJZGIE-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
2,2-dimethyl-3-(2-methylpropoxy)-N-[(1S)-1-thiophen-2-ylethyl]cyclobutan-1-amine
CID 81398534
2,2-dimethyl-3-(2-methylpropoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 64851570
N-[1-(4-bromophenyl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852750
3-ethoxy-2,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 64852133
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130941268
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64851577
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
2,2,6,6-tetramethyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 64988734
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81401968
(2S)-2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanoic acid
CID 114283260

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine (CID 64852361) is 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is CC(C)COC1CC(NC(C)c2nccs2)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
The InChIKey is XWDXQKNGFJZGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-10(2)9-18-13-8-12(15(13,4)5)17-11(3)14-16-6-7-19-14/h6-7,10-13,17H,8-9H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine?
2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 64852361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).