4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane

C15H22N2 — CID 130838279

IUPAC4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
SMILESCC1CN(Cc2ccccc2)C2CCN1CC2
InChIInChI=1S/C15H22N2/c1-13-11-17(12-14-5-3-2-4-6-14)15-7-9-16(13)10-8-15/h2-6,13,15H,7-12H2,1H3
InChIKeyDGXHOFZGUFJSQT-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.36
Rot. Bonds2

About 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane

4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane (PubChem CID 130838279) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
PubChem CID130838279
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane
SMILESCC1CN(Cc2ccccc2)C2CCN1CC2
InChIInChI=1S/C15H22N2/c1-13-11-17(12-14-5-3-2-4-6-14)15-7-9-16(13)10-8-15/h2-6,13,15H,7-12H2,1H3
InChIKeyDGXHOFZGUFJSQT-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(4S)-1-benzyl-2,4-dimethylpyrrolidine
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4-benzyl-5-methyl-1-piperidin-3-yl-1,4-diazepane
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1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane?
The IUPAC name of 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane (CID 130838279) is 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane?
The canonical SMILES for 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane is CC1CN(Cc2ccccc2)C2CCN1CC2.
What is the InChIKey of 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane?
The InChIKey is DGXHOFZGUFJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-13-11-17(12-14-5-3-2-4-6-14)15-7-9-16(13)10-8-15/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane?
4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane has a molecular weight of 230.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-1,4-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 130838279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).