9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride

C8H18Cl2N2 — CID 18910

IUPAC9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
SMILESCN1C2CCCC1CNC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10-7-3-2-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H
InChIKeyKJLUHXBQTQMMOX-UHFFFAOYSA-N
MW213.15 g/mol
LogP1.29
Rot. Bonds

About 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride

9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride (PubChem CID 18910) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride.

Molecular Properties

Compound Name9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
PubChem CID18910
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
SMILESCN1C2CCCC1CNC2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10-7-3-2-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H
InChIKeyKJLUHXBQTQMMOX-UHFFFAOYSA-N
XLogP1.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
The IUPAC name of 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride (CID 18910) is 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride.
What is the SMILES notation for 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
The canonical SMILES for 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride is CN1C2CCCC1CNC2.Cl.Cl.
What is the InChIKey of 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
The InChIKey is KJLUHXBQTQMMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-10-7-3-2-4-8(10)6-9-5-7;;/h7-9H,2-6H2,1H3;2*1H.
What are the key properties of 9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
9-methyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.29, 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[3.3.1]nonane;dihydrochloride is sourced from PubChem (CID 18910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).