3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine

C12H21NO2 — CID 116871358

IUPAC3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine
SMILESNC1CC(C2(C3CCOCC3)COC2)C1
InChIInChI=1S/C12H21NO2/c13-11-5-10(6-11)12(7-15-8-12)9-1-3-14-4-2-9/h9-11H,1-8,13H2
InChIKeyFXPUXPPNYLLJNM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.17
Rot. Bonds2

About 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine

3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine (PubChem CID 116871358) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine
PubChem CID116871358
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine
SMILESNC1CC(C2(C3CCOCC3)COC2)C1
InChIInChI=1S/C12H21NO2/c13-11-5-10(6-11)12(7-15-8-12)9-1-3-14-4-2-9/h9-11H,1-8,13H2
InChIKeyFXPUXPPNYLLJNM-UHFFFAOYSA-N
XLogP1.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[adamantane-2,3'-oxetane]
CID 22677097
2-[3-(oxan-4-yl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116872221
[3-(oxan-4-yl)oxetan-3-yl]hydrazine
CID 116876341
3-(oxan-4-yl)oxetane-3-thiol
CID 116872935
oxan-4-amine;pentakis(yttrium)
CID 158916020
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214330
spiro[adamantane-2,4'-oxane]
CID 10512483
2-methyl-1-(oxan-4-yl)cyclopropan-1-amine
CID 79333961
3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol
CID 80698554
3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
3-[3-(azetidin-3-yl)oxetan-3-yl]-1-methylpyrrolidine
CID 116870782
3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130893120

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine?
The IUPAC name of 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine (CID 116871358) is 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine is NC1CC(C2(C3CCOCC3)COC2)C1.
What is the InChIKey of 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine?
The InChIKey is FXPUXPPNYLLJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-11-5-10(6-11)12(7-15-8-12)9-1-3-14-4-2-9/h9-11H,1-8,13H2.
What are the key properties of 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine?
3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine has a molecular weight of 211.30 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-4-yl)oxetan-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 116871358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).