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

C17H31NO2 — CID 79670328

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine
SMILESCCCC1(CCC)CN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C17H31NO2/c1-3-7-16(8-4-2)13-18(14-16)15-5-9-17(10-6-15)19-11-12-20-17/h15H,3-14H2,1-2H3
InChIKeyTXSIHEFZVXAEEW-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.57
Rot. Bonds5

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

1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine (PubChem CID 79670328) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine
PubChem CID79670328
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine
SMILESCCCC1(CCC)CN(C2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C17H31NO2/c1-3-7-16(8-4-2)13-18(14-16)15-5-9-17(10-6-15)19-11-12-20-17/h15H,3-14H2,1-2H3
InChIKeyTXSIHEFZVXAEEW-UHFFFAOYSA-N
XLogP3.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine (CID 79670328) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine is CCCC1(CCC)CN(C2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine?
The InChIKey is TXSIHEFZVXAEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-7-16(8-4-2)13-18(14-16)15-5-9-17(10-6-15)19-11-12-20-17/h15H,3-14H2,1-2H3.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-3,3-dipropylazetidine has a molecular weight of 281.44 g/mol, XLogP of 3.57, 5 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)-3,3-dipropylazetidine is sourced from PubChem (CID 79670328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).