3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane

C13H18N2 — CID 170205699

IUPAC3-methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2C3=CC=CC=C3
InChIInChI=1S/C13H18N2/c1-14-9-12-7-8-13(10-14)15(12)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyIRPZCQBDVVAQCE-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.50
Rot. Bonds1

About 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane

3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 170205699) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID170205699
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane
SMILESCN1CC2CCC(C1)N2C3=CC=CC=C3
InChIInChI=1S/C13H18N2/c1-14-9-12-7-8-13(10-14)15(12)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3
InChIKeyIRPZCQBDVVAQCE-UHFFFAOYSA-N
XLogP2.50
TPSA6.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity209

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane (CID 170205699) is 3-methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane is CN1CC2CCC(C1)N2C3=CC=CC=C3.
What is the InChIKey of 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is IRPZCQBDVVAQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-14-9-12-7-8-13(10-14)15(12)11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3.
What are the key properties of 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane?
3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 202.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170205699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).