2-(oxan-4-yl)-5-azaspiro[2.4]heptane

C11H19NO — CID 115016004

IUPAC2-(oxan-4-yl)-5-azaspiro[2.4]heptane
SMILESC1CC2(CN1)CC2C1CCOCC1
InChIInChI=1S/C11H19NO/c1-5-13-6-2-9(1)10-7-11(10)3-4-12-8-11/h9-10,12H,1-8H2
InChIKeyXKIOIQYXWGNACY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About 2-(oxan-4-yl)-5-azaspiro[2.4]heptane

2-(oxan-4-yl)-5-azaspiro[2.4]heptane (PubChem CID 115016004) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(oxan-4-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name2-(oxan-4-yl)-5-azaspiro[2.4]heptane
PubChem CID115016004
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(oxan-4-yl)-5-azaspiro[2.4]heptane
SMILESC1CC2(CN1)CC2C1CCOCC1
InChIInChI=1S/C11H19NO/c1-5-13-6-2-9(1)10-7-11(10)3-4-12-8-11/h9-10,12H,1-8H2
InChIKeyXKIOIQYXWGNACY-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-5-azaspiro[2.4]heptane
CID 115013095
2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
CID 115015784
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane
CID 112570802
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
2-methyl-5-azaspiro[2.4]heptane
CID 91206231
(3S)-3-methyl-3-(oxan-4-yl)pyrrolidine
CID 166800108
(2R,3S)-5-azaspiro[2.4]heptan-2-amine;hydrochloride
CID 67879241
2,2-difluoro-1-(oxan-4-yl)-7-azaspiro[2.5]octane
CID 126845507
2-oxa-9-azaspiro[4.5]decan-6-ol
CID 82415907
2-cyclobutylspiro[2.4]heptane
CID 148790584
3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452951
2,2-dimethyl-4-(oxan-4-yl)piperidine
CID 117258197

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of 2-(oxan-4-yl)-5-azaspiro[2.4]heptane (CID 115016004) is 2-(oxan-4-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 2-(oxan-4-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 2-(oxan-4-yl)-5-azaspiro[2.4]heptane is C1CC2(CN1)CC2C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-5-azaspiro[2.4]heptane?
The InChIKey is XKIOIQYXWGNACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-5-13-6-2-9(1)10-7-11(10)3-4-12-8-11/h9-10,12H,1-8H2.
What are the key properties of 2-(oxan-4-yl)-5-azaspiro[2.4]heptane?
2-(oxan-4-yl)-5-azaspiro[2.4]heptane has a molecular weight of 181.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 115016004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).