3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

C13H21NOS — CID 115970469

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCC(C)(C)OC1CC(NCc2ccsc2)C1
InChIInChI=1S/C13H21NOS/c1-13(2,3)15-12-6-11(7-12)14-8-10-4-5-16-9-10/h4-5,9,11-12,14H,6-8H2,1-3H3
InChIKeyAENCGOWEHXRJSF-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.18
Rot. Bonds4

About 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine

3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (PubChem CID 115970469) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
PubChem CID115970469
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
SMILESCC(C)(C)OC1CC(NCc2ccsc2)C1
InChIInChI=1S/C13H21NOS/c1-13(2,3)15-12-6-11(7-12)14-8-10-4-5-16-9-10/h4-5,9,11-12,14H,6-8H2,1-3H3
InChIKeyAENCGOWEHXRJSF-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclobutyl]carbamate
CID 80562080
3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 115971767
3-(4-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 55174100
3-(2-methylphenyl)-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 63248251
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
3-methylsulfanyl-N-(thiophen-3-ylmethyl)cyclopentan-1-amine
CID 115656335
N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline
CID 138052411
1-oxo-N-(thiophen-3-ylmethyl)thian-4-amine
CID 63248071
3-ethoxy-N-(2-thiophen-3-ylethyl)cyclobutan-1-amine
CID 112553258
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
N-(thiophen-3-ylmethyl)piperidin-3-amine
CID 63248070
2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
CID 112634022

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine (CID 115970469) is 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is CC(C)(C)OC1CC(NCc2ccsc2)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
The InChIKey is AENCGOWEHXRJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2,3)15-12-6-11(7-12)14-8-10-4-5-16-9-10/h4-5,9,11-12,14H,6-8H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine?
3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 115970469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).