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

C8H16N2 — CID 18911

IUPAC9-methyl-3,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CNC2
InChIInChI=1S/C8H16N2/c1-10-7-3-2-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKeyNHNRLASXGHTJKZ-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds

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

9-methyl-3,9-diazabicyclo[3.3.1]nonane (PubChem CID 18911) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 9-methyl-3,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3,9-diazabicyclo[3.3.1]nonane
PubChem CID18911
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name9-methyl-3,9-diazabicyclo[3.3.1]nonane
SMILESCN1C2CCCC1CNC2
InChIInChI=1S/C8H16N2/c1-10-7-3-2-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3
InChIKeyNHNRLASXGHTJKZ-UHFFFAOYSA-N
XLogP0.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.1]nonane (CID 18911) is 9-methyl-3,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3,9-diazabicyclo[3.3.1]nonane is CN1C2CCCC1CNC2.
What is the InChIKey of 9-methyl-3,9-diazabicyclo[3.3.1]nonane?
The InChIKey is NHNRLASXGHTJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-7-3-2-4-8(10)6-9-5-7/h7-9H,2-6H2,1H3.
What are the key properties of 9-methyl-3,9-diazabicyclo[3.3.1]nonane?
9-methyl-3,9-diazabicyclo[3.3.1]nonane has a molecular weight of 140.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 18911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).