6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride

C7H16Cl2N2 — CID 146675322

IUPAC6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCN1CC2CC1CCN2.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-9-5-6-4-7(9)2-3-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyPCIHBZYZYBQSPU-UHFFFAOYSA-N
MW199.12 g/mol
LogP0.90
Rot. Bonds

About 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride

6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride (PubChem CID 146675322) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride.

Molecular Properties

Compound Name6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride
PubChem CID146675322
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride
SMILESCN1CC2CC1CCN2.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-9-5-6-4-7(9)2-3-8-6;;/h6-8H,2-5H2,1H3;2*1H
InChIKeyPCIHBZYZYBQSPU-UHFFFAOYSA-N
XLogP0.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Diazabicyclo[3.2.1]octane dihydrochloride
CID 12374078
3-Methyl-3,8-diazabicyclo(3.2.1)octane
CID 12378900
1-(1-Ethylpiperidin-4-yl)-1,4-diazepane
CID 61057953
6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
8-Methyl-3,8-diazabicyclo(3.2.1)octane dihydrochloride
CID 22120189
3,8-Diazabicyclo(3.2.1)octane dihydrochloride
CID 22647870
1-(3-Pyrrolidinyl)piperidine dihydrochloride
CID 53407978
8-(Propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 57963913
1-[(3R)-pyrrolidin-3-yl]piperidine dihydrochloride
CID 66905717
1-((3S)-pyrrolidin-3-yl)piperidine dihydrochloride
CID 71464052
8-Ethyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
CID 146380468
8-Methyl-3,8-diazabicyclo[3.2.1]octane
CID 422924

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride?
The IUPAC name of 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride (CID 146675322) is 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride.
What is the SMILES notation for 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride?
The canonical SMILES for 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride is CN1CC2CC1CCN2.Cl.Cl.
What is the InChIKey of 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride?
The InChIKey is PCIHBZYZYBQSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-9-5-6-4-7(9)2-3-8-6;;/h6-8H,2-5H2,1H3;2*1H.
What are the key properties of 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride?
6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,6-diazabicyclo[3.2.1]octane;dihydrochloride is sourced from PubChem (CID 146675322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).