7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane

C14H25NO — CID 156812982

IUPAC7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane
SMILESCC1CCC2(CC1)CN(C1CCOCC1)C2
InChIInChI=1S/C14H25NO/c1-12-2-6-14(7-3-12)10-15(11-14)13-4-8-16-9-5-13/h12-13H,2-11H2,1H3
InChIKeyJLOQMSQQOQIZJC-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.68
Rot. Bonds1

About 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane

7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane (PubChem CID 156812982) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane
PubChem CID156812982
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane
SMILESCC1CCC2(CC1)CN(C1CCOCC1)C2
InChIInChI=1S/C14H25NO/c1-12-2-6-14(7-3-12)10-15(11-14)13-4-8-16-9-5-13/h12-13H,2-11H2,1H3
InChIKeyJLOQMSQQOQIZJC-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane (CID 156812982) is 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane is CC1CCC2(CC1)CN(C1CCOCC1)C2.
What is the InChIKey of 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane?
The InChIKey is JLOQMSQQOQIZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-2-6-14(7-3-12)10-15(11-14)13-4-8-16-9-5-13/h12-13H,2-11H2,1H3.
What are the key properties of 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane?
7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane has a molecular weight of 223.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(oxan-4-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 156812982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).