3-methyl-3,9-diazabicyclo[3.3.2]decane

C9H18N2 — CID 84650080

IUPAC3-methyl-3,9-diazabicyclo[3.3.2]decane
SMILESCN1CC2CCCC(C1)NC2
InChIInChI=1S/C9H18N2/c1-11-6-8-3-2-4-9(7-11)10-5-8/h8-10H,2-7H2,1H3
InChIKeyOCHBGJJNQYRVKD-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

About 3-methyl-3,9-diazabicyclo[3.3.2]decane

3-methyl-3,9-diazabicyclo[3.3.2]decane (PubChem CID 84650080) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methyl-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3-methyl-3,9-diazabicyclo[3.3.2]decane
PubChem CID84650080
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methyl-3,9-diazabicyclo[3.3.2]decane
SMILESCN1CC2CCCC(C1)NC2
InChIInChI=1S/C9H18N2/c1-11-6-8-3-2-4-9(7-11)10-5-8/h8-10H,2-7H2,1H3
InChIKeyOCHBGJJNQYRVKD-UHFFFAOYSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.69
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[3.3.2]decane?
The IUPAC name of 3-methyl-3,9-diazabicyclo[3.3.2]decane (CID 84650080) is 3-methyl-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 3-methyl-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 3-methyl-3,9-diazabicyclo[3.3.2]decane is CN1CC2CCCC(C1)NC2.
What is the InChIKey of 3-methyl-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is OCHBGJJNQYRVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-6-8-3-2-4-9(7-11)10-5-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-methyl-3,9-diazabicyclo[3.3.2]decane?
3-methyl-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 154.26 g/mol, XLogP of 0.69, 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[3.3.2]decane is sourced from PubChem (CID 84650080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).