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

C8H16N2 — CID 19908231

IUPAC3-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1CCC2CCC(C1)N2
InChIInChI=1S/C8H16N2/c1-10-5-4-7-2-3-8(6-10)9-7/h7-9H,2-6H2,1H3
InChIKeyNLRPLOMLCUJBET-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.44
Rot. Bonds

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

3-methyl-3,9-diazabicyclo[4.2.1]nonane (PubChem CID 19908231) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-methyl-3,9-diazabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name3-methyl-3,9-diazabicyclo[4.2.1]nonane
PubChem CID19908231
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-methyl-3,9-diazabicyclo[4.2.1]nonane
SMILESCN1CCC2CCC(C1)N2
InChIInChI=1S/C8H16N2/c1-10-5-4-7-2-3-8(6-10)9-7/h7-9H,2-6H2,1H3
InChIKeyNLRPLOMLCUJBET-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 3-methyl-3,9-diazabicyclo[4.2.1]nonane?
The IUPAC name of 3-methyl-3,9-diazabicyclo[4.2.1]nonane (CID 19908231) is 3-methyl-3,9-diazabicyclo[4.2.1]nonane.
What is the SMILES notation for 3-methyl-3,9-diazabicyclo[4.2.1]nonane?
The canonical SMILES for 3-methyl-3,9-diazabicyclo[4.2.1]nonane is CN1CCC2CCC(C1)N2.
What is the InChIKey of 3-methyl-3,9-diazabicyclo[4.2.1]nonane?
The InChIKey is NLRPLOMLCUJBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-5-4-7-2-3-8(6-10)9-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-3,9-diazabicyclo[4.2.1]nonane?
3-methyl-3,9-diazabicyclo[4.2.1]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 3-methyl-3,9-diazabicyclo[4.2.1]nonane is sourced from PubChem (CID 19908231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).