9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane

C13H19N3 — CID 24752137

IUPAC9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CN(c1cccnc1)C2
InChIInChI=1S/C13H19N3/c1-15-12-4-2-5-13(15)10-16(9-12)11-6-3-7-14-8-11/h3,6-8,12-13H,2,4-5,9-10H2,1H3
InChIKeyKHQNUZUXDBHVNC-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.75
Rot. Bonds1

About 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane

9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane (PubChem CID 24752137) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
PubChem CID24752137
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CN(c1cccnc1)C2
InChIInChI=1S/C13H19N3/c1-15-12-4-2-5-13(15)10-16(9-12)11-6-3-7-14-8-11/h3,6-8,12-13H,2,4-5,9-10H2,1H3
InChIKeyKHQNUZUXDBHVNC-UHFFFAOYSA-N
XLogP1.75
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane (CID 24752137) is 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane is CN1C2CCCC1CN(c1cccnc1)C2.
What is the InChIKey of 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane?
The InChIKey is KHQNUZUXDBHVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-15-12-4-2-5-13(15)10-16(9-12)11-6-3-7-14-8-11/h3,6-8,12-13H,2,4-5,9-10H2,1H3.
What are the key properties of 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane?
9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane has a molecular weight of 217.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-pyridin-3-yl-3,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 24752137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).