7-methyl-3,9-diazabicyclo[4.2.1]nonane

C8H16N2 — CID 19908227

IUPAC7-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1CC2CNCCC1N2
InChIInChI=1S/C8H16N2/c1-6-4-7-5-9-3-2-8(6)10-7/h6-10H,2-5H2,1H3
InChIKeyZXQURXQKPABSJY-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.35
Rot. Bonds

About 7-methyl-3,9-diazabicyclo[4.2.1]nonane

7-methyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 19908227) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 7-methyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name7-methyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID19908227
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name7-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCC1CC2CNCCC1N2
InChIInChI=1S/C8H16N2/c1-6-4-7-5-9-3-2-8(6)10-7/h6-10H,2-5H2,1H3
InChIKeyZXQURXQKPABSJY-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 7-methyl-3,9-diazabicyclo[4.2.1]nonane (CID 19908227) is 7-methyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 7-methyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 7-methyl-3,9-diazabicyclo[4.2.1]nonane is CC1CC2CNCCC1N2.
What is the InChIKey of 7-methyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is ZXQURXQKPABSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-4-7-5-9-3-2-8(6)10-7/h6-10H,2-5H2,1H3.
What are the key properties of 7-methyl-3,9-diazabicyclo[4.2.1]nonane?
7-methyl-3,9-diazabicyclo[4.2.1]nonane has a molecular weight of 140.23 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 19908227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).