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

C9H18N2 — CID 78149813

IUPAC9-methyl-3,9-diazabicyclo[3.3.2]decane
SMILESCN1CC2CCCC1CNC2
InChIInChI=1S/C9H18N2/c1-11-7-8-3-2-4-9(11)6-10-5-8/h8-10H,2-7H2,1H3
InChIKeyCIRFYLKOLBDVLF-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.69
Rot. Bonds

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

9-methyl-3,9-diazabicyclo[3.3.2]decane (PubChem CID 78149813) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 9-methyl-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name9-methyl-3,9-diazabicyclo[3.3.2]decane
PubChem CID78149813
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name9-methyl-3,9-diazabicyclo[3.3.2]decane
SMILESCN1CC2CCCC1CNC2
InChIInChI=1S/C9H18N2/c1-11-7-8-3-2-4-9(11)6-10-5-8/h8-10H,2-7H2,1H3
InChIKeyCIRFYLKOLBDVLF-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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Related Compounds

3-Methyl-3,6-diazabicyclo[3.2.2]nonane
CID 13999275
6-Methyl-3,6-diazabicyclo[3.2.2]nonane
CID 13999277
3,9-Diazabicyclo[3.3.2]decane
CID 55299478
3-Methanidyl-6-methyl-6-aza-3-azoniabicyclo[3.2.2]nonane
CID 58935495
2-Methyl-2,5-diazabicyclo[5.5.0]dodecane
CID 68019173
6-Pentyl-3,6-diazabicyclo[3.2.2]nonane
CID 68487847
3-Pentyl-3,6-diazabicyclo[3.2.2]nonane
CID 68531684
1,4-Diazabicyclo[3.3.2]decane
CID 68568034
2,7-Diazabicyclo[3.3.2]decane
CID 118210432
3,9-Di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
CID 121400501
(1S,5R)-3,9-diazabicyclo[3.3.2]decane
CID 122672000
6-(1-Butan-2-ylazepan-3-yl)-1-ethyl-1,4-diazepane
CID 126747998

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.2]decane (CID 78149813) is 9-methyl-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 9-methyl-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 9-methyl-3,9-diazabicyclo[3.3.2]decane is CN1CC2CCCC1CNC2.
What is the InChIKey of 9-methyl-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is CIRFYLKOLBDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-11-7-8-3-2-4-9(11)6-10-5-8/h8-10H,2-7H2,1H3.
What are the key properties of 9-methyl-3,9-diazabicyclo[3.3.2]decane?
9-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 9-methyl-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 78149813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).