8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane

C15H28N2O — CID 63161070

IUPAC8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane
SMILESCOC1CNC(CN2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C15H28N2O/c1-18-14-10-13(16-11-14)12-17-8-6-15(7-9-17)4-2-3-5-15/h13-14,16H,2-12H2,1H3
InChIKeyQNFKZBQBNQYXCL-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.02
Rot. Bonds3

About 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane

8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane (PubChem CID 63161070) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane
PubChem CID63161070
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane
SMILESCOC1CNC(CN2CCC3(CCCC3)CC2)C1
InChIInChI=1S/C15H28N2O/c1-18-14-10-13(16-11-14)12-17-8-6-15(7-9-17)4-2-3-5-15/h13-14,16H,2-12H2,1H3
InChIKeyQNFKZBQBNQYXCL-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane (CID 63161070) is 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane is COC1CNC(CN2CCC3(CCCC3)CC2)C1.
What is the InChIKey of 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane?
The InChIKey is QNFKZBQBNQYXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-18-14-10-13(16-11-14)12-17-8-6-15(7-9-17)4-2-3-5-15/h13-14,16H,2-12H2,1H3.
What are the key properties of 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane?
8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane has a molecular weight of 252.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxypyrrolidin-2-yl)methyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 63161070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).