3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride

C9H20Cl2N2 — CID 18912

IUPAC3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
SMILESCC1CC2CN(C)CC(C1)N2.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-7-3-8-5-11(2)6-9(4-7)10-8;;/h7-10H,3-6H2,1-2H3;2*1H
InChIKeyHJWXXPPPFNHBQL-UHFFFAOYSA-N
MW227.18 g/mol
LogP1.53
Rot. Bonds

About 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride

3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride (PubChem CID 18912) has the molecular formula C9H20Cl2N2 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride.

Molecular Properties

Compound Name3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
PubChem CID18912
Molecular FormulaC9H20Cl2N2
Molecular Weight227.18 g/mol
Exact Mass226.10
IUPAC Name3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride
SMILESCC1CC2CN(C)CC(C1)N2.Cl.Cl
InChIInChI=1S/C9H18N2.2ClH/c1-7-3-8-5-11(2)6-9(4-7)10-8;;/h7-10H,3-6H2,1-2H3;2*1H
InChIKeyHJWXXPPPFNHBQL-UHFFFAOYSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
The IUPAC name of 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride (CID 18912) is 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride.
What is the SMILES notation for 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
The canonical SMILES for 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride is CC1CC2CN(C)CC(C1)N2.Cl.Cl.
What is the InChIKey of 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
The InChIKey is HJWXXPPPFNHBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2ClH/c1-7-3-8-5-11(2)6-9(4-7)10-8;;/h7-10H,3-6H2,1-2H3;2*1H.
What are the key properties of 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride?
3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride has a molecular weight of 227.18 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-3,9-diazabicyclo[3.3.1]nonane;dihydrochloride is sourced from PubChem (CID 18912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).