1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine

C11H20N2O — CID 164651183

IUPAC1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2COC3(CCC3)C2)C1
InChIInChI=1S/C11H20N2O/c12-9-2-5-13(7-9)10-6-11(14-8-10)3-1-4-11/h9-10H,1-8,12H2
InChIKeyQSUHLQFJQKJJDU-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.73
Rot. Bonds1

About 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine

1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine (PubChem CID 164651183) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine
PubChem CID164651183
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2COC3(CCC3)C2)C1
InChIInChI=1S/C11H20N2O/c12-9-2-5-13(7-9)10-6-11(14-8-10)3-1-4-11/h9-10H,1-8,12H2
InChIKeyQSUHLQFJQKJJDU-UHFFFAOYSA-N
XLogP0.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-(1-oxaspiro[5.5]undecan-4-yl)azetidin-3-amine
CID 79900905
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333
bis(1-cyclopentylpyrrolidin-3-amine);dihydrochloride
CID 173089103
(3R)-1-(4,4-dimethylcyclohexyl)pyrrolidin-3-amine
CID 131065558
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
5-oxaspiro[3.4]octan-7-amine;hydrochloride
CID 122156633
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 115313242
(3S)-1-oxaspiro[4.4]nonan-3-amine
CID 42546206

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine (CID 164651183) is 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine is NC1CCN(C2COC3(CCC3)C2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine?
The InChIKey is QSUHLQFJQKJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-9-2-5-13(7-9)10-6-11(14-8-10)3-1-4-11/h9-10H,1-8,12H2.
What are the key properties of 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine?
1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine has a molecular weight of 196.29 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxaspiro[3.4]octan-7-yl)pyrrolidin-3-amine is sourced from PubChem (CID 164651183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).