3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane

C14H20N2 — CID 69367997

IUPAC3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC(C2)CN1Cc1ccccc1
InChIInChI=1S/C14H20N2/c1-15-14-8-7-13(9-14)11-16(15)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyFUCZSMNYQHNGCU-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.52
Rot. Bonds2

About 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane

3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane (PubChem CID 69367997) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane
PubChem CID69367997
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane
SMILESCN1C2CCC(C2)CN1Cc1ccccc1
InChIInChI=1S/C14H20N2/c1-15-14-8-7-13(9-14)11-16(15)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
InChIKeyFUCZSMNYQHNGCU-UHFFFAOYSA-N
XLogP2.52
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane (CID 69367997) is 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane is CN1C2CCC(C2)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane?
The InChIKey is FUCZSMNYQHNGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-15-14-8-7-13(9-14)11-16(15)10-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3.
What are the key properties of 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane?
3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane has a molecular weight of 216.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-2,3-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 69367997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).