3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane

C6H15N4+ — CID 163612698

IUPAC3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane
SMILESCN1CN2CNC[NH+](C1)C2
InChIInChI=1S/C6H14N4/c1-8-4-9-2-7-3-10(5-8)6-9/h7H,2-6H2,1H3/p+1
InChIKeyHHHNMAVFJQFVGB-UHFFFAOYSA-O
MW143.21 g/mol
LogP-2.49
Rot. Bonds

About 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane

3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane (PubChem CID 163612698) has the molecular formula C6H15N4+ and a molecular weight of 143.21 g/mol. Its IUPAC name is 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane
PubChem CID163612698
Molecular FormulaC6H15N4+
Molecular Weight143.21 g/mol
Exact Mass143.13
IUPAC Name3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane
SMILESCN1CN2CNC[NH+](C1)C2
InChIInChI=1S/C6H14N4/c1-8-4-9-2-7-3-10(5-8)6-9/h7H,2-6H2,1H3/p+1
InChIKeyHHHNMAVFJQFVGB-UHFFFAOYSA-O
XLogP-2.49
TPSA22.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-2.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-7-(1,3,5,7-tetrazabicyclo[3.3.1]nonan-3-ylmethyl)-1,3,5,7-tetrazabicyclo[3.3.1]nonane
CID 102333919
1-methylpiperazine;hydrate
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3-methyl-1,3,5-triazinan-1-amine
CID 144981078
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CID 160725872
trichlorochromium(1+);1,3,5-trimethyl-1,3,5-triazinane
CID 87195451
benzene;1,3-dimethyl-1,3-diazetidine;ethane
CID 167591443
7-methyl-1,4,7,10,13-pentazabicyclo[11.2.2]heptadecane
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cyclopenta-1,3-diene;cyclopentane;iron;1-methylimidazolidine
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane?
The IUPAC name of 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane (CID 163612698) is 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane?
The canonical SMILES for 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane is CN1CN2CNC[NH+](C1)C2.
What is the InChIKey of 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane?
The InChIKey is HHHNMAVFJQFVGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H14N4/c1-8-4-9-2-7-3-10(5-8)6-9/h7H,2-6H2,1H3/p+1.
What are the key properties of 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane?
3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane has a molecular weight of 143.21 g/mol, XLogP of -2.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,5,7-triaza-1-azoniabicyclo[3.3.1]nonane is sourced from PubChem (CID 163612698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).