2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane

C13H19N3 — CID 152657407

IUPAC2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane
SMILESCc1cc(N2CC3(CCCNC3)C2)ccn1
InChIInChI=1S/C13H19N3/c1-11-7-12(3-6-15-11)16-9-13(10-16)4-2-5-14-8-13/h3,6-7,14H,2,4-5,8-10H2,1H3
InChIKeyZIUUPFRJAUMFNS-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.58
Rot. Bonds1

About 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane

2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane (PubChem CID 152657407) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane
PubChem CID152657407
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane
SMILESCc1cc(N2CC3(CCCNC3)C2)ccn1
InChIInChI=1S/C13H19N3/c1-11-7-12(3-6-15-11)16-9-13(10-16)4-2-5-14-8-13/h3,6-7,14H,2,4-5,8-10H2,1H3
InChIKeyZIUUPFRJAUMFNS-UHFFFAOYSA-N
XLogP1.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane (CID 152657407) is 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane is Cc1cc(N2CC3(CCCNC3)C2)ccn1.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane?
The InChIKey is ZIUUPFRJAUMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-7-12(3-6-15-11)16-9-13(10-16)4-2-5-14-8-13/h3,6-7,14H,2,4-5,8-10H2,1H3.
What are the key properties of 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane?
2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane has a molecular weight of 217.32 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 152657407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).