1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine

C16H28N2O2 — CID 79901180

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
SMILESC1CNC(C2CCCN2C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H28N2O2/c1-3-14(17-7-1)15-4-2-8-18(15)13-5-9-20-16(11-13)6-10-19-12-16/h13-15,17H,1-12H2
InChIKeyVJIVGUZPJZYQIS-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.54
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine (PubChem CID 79901180) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
PubChem CID79901180
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine
SMILESC1CNC(C2CCCN2C2CCOC3(CCOC3)C2)C1
InChIInChI=1S/C16H28N2O2/c1-3-14(17-7-1)15-4-2-8-18(15)13-5-9-20-16(11-13)6-10-19-12-16/h13-15,17H,1-12H2
InChIKeyVJIVGUZPJZYQIS-UHFFFAOYSA-N
XLogP1.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-oxaspiro[5.5]undecan-4-yl)-2-pyrrolidin-2-ylpyrrolidine
CID 79901179
(4aS,7aS)-6-(2,6-dioxaspiro[4.5]decan-9-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682765
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919993
[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanamine
CID 79919949
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681507
1-[1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316834
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-2-yl]methanol
CID 79920343
2-pyrrolidin-2-yl-1-(thian-4-yl)pyrrolidine
CID 62274739
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpiperazine
CID 79901478
1-propyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)piperidine
CID 62273006
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784497

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine (CID 79901180) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine is C1CNC(C2CCCN2C2CCOC3(CCOC3)C2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine?
The InChIKey is VJIVGUZPJZYQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-14(17-7-1)15-4-2-8-18(15)13-5-9-20-16(11-13)6-10-19-12-16/h13-15,17H,1-12H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine has a molecular weight of 280.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-pyrrolidin-2-ylpyrrolidine is sourced from PubChem (CID 79901180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).