3-methyl-1,5-diazabicyclo[3.2.2]nonane

C8H16N2 — CID 67679807

IUPAC3-methyl-1,5-diazabicyclo[3.2.2]nonane
SMILESCC1CN2CCN(CC2)C1
InChIInChI=1S/C8H16N2/c1-8-6-9-2-3-10(7-8)5-4-9/h8H,2-7H2,1H3
InChIKeyFPZHOIDZQCYJJW-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.25
Rot. Bonds

About 3-methyl-1,5-diazabicyclo[3.2.2]nonane

3-methyl-1,5-diazabicyclo[3.2.2]nonane (PubChem CID 67679807) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-1,5-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name3-methyl-1,5-diazabicyclo[3.2.2]nonane
PubChem CID67679807
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-1,5-diazabicyclo[3.2.2]nonane
SMILESCC1CN2CCN(CC2)C1
InChIInChI=1S/C8H16N2/c1-8-6-9-2-3-10(7-8)5-4-9/h8H,2-7H2,1H3
InChIKeyFPZHOIDZQCYJJW-UHFFFAOYSA-N
XLogP0.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diazabicyclo[3.2.2]nonane?
The IUPAC name of 3-methyl-1,5-diazabicyclo[3.2.2]nonane (CID 67679807) is 3-methyl-1,5-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 3-methyl-1,5-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 3-methyl-1,5-diazabicyclo[3.2.2]nonane is CC1CN2CCN(CC2)C1.
What is the InChIKey of 3-methyl-1,5-diazabicyclo[3.2.2]nonane?
The InChIKey is FPZHOIDZQCYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8-6-9-2-3-10(7-8)5-4-9/h8H,2-7H2,1H3.
What are the key properties of 3-methyl-1,5-diazabicyclo[3.2.2]nonane?
3-methyl-1,5-diazabicyclo[3.2.2]nonane has a molecular weight of 140.23 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 67679807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).