6-phenyl-3,6-diazabicyclo[3.1.1]heptane

C11H14N2 — CID 134243168

IUPAC6-phenyl-3,6-diazabicyclo[3.1.1]heptane
SMILESc1ccc(N2C3CNCC2C3)cc1
InChIInChI=1S/C11H14N2/c1-2-4-9(5-3-1)13-10-6-11(13)8-12-7-10/h1-5,10-12H,6-8H2
InChIKeyXGXGKJIXMUWJPQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.24
Rot. Bonds1

About 6-phenyl-3,6-diazabicyclo[3.1.1]heptane

6-phenyl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 134243168) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-phenyl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-phenyl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID134243168
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-phenyl-3,6-diazabicyclo[3.1.1]heptane
SMILESc1ccc(N2C3CNCC2C3)cc1
InChIInChI=1S/C11H14N2/c1-2-4-9(5-3-1)13-10-6-11(13)8-12-7-10/h1-5,10-12H,6-8H2
InChIKeyXGXGKJIXMUWJPQ-UHFFFAOYSA-N
XLogP1.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
3-methyl-8-phenyl-3,8-diazabicyclo[3.2.1]octane
CID 170205699
2,8,14-triphenyl-2,4,6,8,10,12,14-heptazatetracyclo[13.3.1.13,7.19,13]henicosane
CID 123946748
N-methyl-9-phenyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106031
bis[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)phenyl]-diphenyl-λ4-sulfane
CID 138503340
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
4-(3,8-diazabicyclo[3.2.1]octan-8-yl)benzonitrile;dihydrochloride
CID 164578551
2,8,14,20,26,32-hexakis-phenyl-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,37,38,39,40,41,42-tetracosazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetracontane
CID 123300011
1-(azetidin-3-yl)-4-phenylpyridin-2-one
CID 141397880
(1S,4S)-2-phenyl-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 10726273
1-(azetidin-3-yl)-3-(4-phenylphenyl)-2H-imidazole
CID 146451039
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-phenyl-3,6-diazabicyclo[3.1.1]heptane (CID 134243168) is 6-phenyl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-phenyl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-phenyl-3,6-diazabicyclo[3.1.1]heptane is c1ccc(N2C3CNCC2C3)cc1.
What is the InChIKey of 6-phenyl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is XGXGKJIXMUWJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-9(5-3-1)13-10-6-11(13)8-12-7-10/h1-5,10-12H,6-8H2.
What are the key properties of 6-phenyl-3,6-diazabicyclo[3.1.1]heptane?
6-phenyl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 174.25 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 134243168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).