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)N2c1ccccc1
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
LogP1.97
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)N2c1ccccc1
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
XLogP1.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
3-methyl-N-phenyl-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 3050914
5-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyridine-2-carboxamide
CID 145145571
3,6-dimethyl-11-phenyl-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;ethane
CID 144689854
6-phenyl-3,6-diazabicyclo[3.1.1]heptane
CID 134243168
6-chloro-4-(8-phenyl-3,8-diazabicyclo[3.2.1]octan-3-yl)pyridazin-3-amine
CID 164578489
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382
8-(2-chlorophenyl)sulfonyl-3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 129269387
5,7,12,14-tetraphenyl-1,2,3,4,4a,5a,6,6a,7a,8,9,10,11,11a,12a,13,13a,14a-octadecahydroquinoxalino[2,3-b]phenazine
CID 173381467
(1S,9R)-12-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 46904866
2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethyl 2,2-diphenylacetate
CID 71439184

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)N2c1ccccc1.
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 1.97, 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).