9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C14H20N2O2 — CID 75506845

IUPAC9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCc1ncccc1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-12-13(4-2-6-15-12)10-16-7-3-5-14(11-16)17-8-9-18-14/h2,4,6H,3,5,7-11H2,1H3
InChIKeyUTGYSPKKUUDCJI-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.73
Rot. Bonds2

About 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 75506845) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID75506845
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCc1ncccc1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-12-13(4-2-6-15-12)10-16-7-3-5-14(11-16)17-8-9-18-14/h2,4,6H,3,5,7-11H2,1H3
InChIKeyUTGYSPKKUUDCJI-UHFFFAOYSA-N
XLogP1.73
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 75506845) is 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is Cc1ncccc1CN1CCCC2(C1)OCCO2.
What is the InChIKey of 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is UTGYSPKKUUDCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-13(4-2-6-15-12)10-16-7-3-5-14(11-16)17-8-9-18-14/h2,4,6H,3,5,7-11H2,1H3.
What are the key properties of 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 248.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methyl-3-pyridinyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 75506845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).