1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine

C12H21NO2 — CID 79672192

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine
SMILESCC1CN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H21NO2/c1-10-8-13(9-10)11-2-4-12(5-3-11)14-6-7-15-12/h10-11H,2-9H2,1H3
InChIKeyKWPGOBGEODRTES-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.62
Rot. Bonds1

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine (PubChem CID 79672192) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine
PubChem CID79672192
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine
SMILESCC1CN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H21NO2/c1-10-8-13(9-10)11-2-4-12(5-3-11)14-6-7-15-12/h10-11H,2-9H2,1H3
InChIKeyKWPGOBGEODRTES-UHFFFAOYSA-N
XLogP1.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 131872684
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-azaspiro[3.3]heptane
CID 79670497
1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)morpholin-2-yl]ethanamine
CID 115315072
2-(1,4-dioxaspiro[4.5]decan-8-yl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 79672321
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine
CID 79670328
1-(azetidin-3-yl)-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 66204059
1-[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263214
1-cyclodecyl-3-methylazetidine
CID 155016918
2-(1-methylazetidin-3-yl)-7-(3-methylazetidin-1-yl)-2-azaspiro[3.5]nonane
CID 166934305
7-(3,4-dimethylpyrrolidin-1-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 79183815
7-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 104958510
8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58930693

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine (CID 79672192) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine is CC1CN(C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine?
The InChIKey is KWPGOBGEODRTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-8-13(9-10)11-2-4-12(5-3-11)14-6-7-15-12/h10-11H,2-9H2,1H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine has a molecular weight of 211.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-methylazetidine is sourced from PubChem (CID 79672192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).