2-methyl-2,8-diazabicyclo[4.2.1]nonane

C8H16N2 — CID 166701168

IUPAC2-methyl-2,8-diazabicyclo[4.2.1]nonane
SMILESCN1CCCC2CNC1C2
InChIInChI=1S/C8H16N2/c1-10-4-2-3-7-5-8(10)9-6-7/h7-9H,2-6H2,1H3
InChIKeyZGKKHGKCAXMFPO-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.65
Rot. Bonds

About 2-methyl-2,8-diazabicyclo[4.2.1]nonane

2-methyl-2,8-diazabicyclo[4.2.1]nonane (PubChem CID 166701168) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-methyl-2,8-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name2-methyl-2,8-diazabicyclo[4.2.1]nonane
PubChem CID166701168
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-methyl-2,8-diazabicyclo[4.2.1]nonane
SMILESCN1CCCC2CNC1C2
InChIInChI=1S/C8H16N2/c1-10-4-2-3-7-5-8(10)9-6-7/h7-9H,2-6H2,1H3
InChIKeyZGKKHGKCAXMFPO-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,8-diazabicyclo[4.2.1]nonane?
The IUPAC name of 2-methyl-2,8-diazabicyclo[4.2.1]nonane (CID 166701168) is 2-methyl-2,8-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 2-methyl-2,8-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 2-methyl-2,8-diazabicyclo[4.2.1]nonane is CN1CCCC2CNC1C2.
What is the InChIKey of 2-methyl-2,8-diazabicyclo[4.2.1]nonane?
The InChIKey is ZGKKHGKCAXMFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-4-2-3-7-5-8(10)9-6-7/h7-9H,2-6H2,1H3.
What are the key properties of 2-methyl-2,8-diazabicyclo[4.2.1]nonane?
2-methyl-2,8-diazabicyclo[4.2.1]nonane has a molecular weight of 140.23 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,8-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 166701168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).