5,6-dimethyl-5-azabicyclo[2.1.1]hexane

C7H13N — CID 59550543

IUPAC5,6-dimethyl-5-azabicyclo[2.1.1]hexane
SMILESCC1C2CCC1N2C
InChIInChI=1S/C7H13N/c1-5-6-3-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3
InChIKeyFAVCXAYKXODCMP-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.10
Rot. Bonds

About 5,6-dimethyl-5-azabicyclo[2.1.1]hexane

5,6-dimethyl-5-azabicyclo[2.1.1]hexane (PubChem CID 59550543) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 5,6-dimethyl-5-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5,6-dimethyl-5-azabicyclo[2.1.1]hexane
PubChem CID59550543
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name5,6-dimethyl-5-azabicyclo[2.1.1]hexane
SMILESCC1C2CCC1N2C
InChIInChI=1S/C7H13N/c1-5-6-3-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3
InChIKeyFAVCXAYKXODCMP-UHFFFAOYSA-N
XLogP1.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;8-methyl-8-azabicyclo[5.1.0]octane
CID 90889945
(2R,6R)-2,6-dichloro-9-methyl-9-azabicyclo[3.3.1]nonane
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9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
CID 121459120
(3R,12S)-2,12-dimethyl-2-azatricyclo[5.4.1.03,5]dodecane
CID 163972586
(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 131034211
(1R)-2,7-dimethyl-7-azabicyclo[2.2.1]heptane
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9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole-3,6-diamine
CID 67709044
2,5,6-trimethyl-2-azabicyclo[2.2.2]octane
CID 20664057
ethane;8-methyl-8-azabicyclo[5.1.0]oct-3-ene
CID 91279361
(2R,7S)-1,2,7-trimethylazepane
CID 142119830

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
The IUPAC name of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane (CID 59550543) is 5,6-dimethyl-5-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5,6-dimethyl-5-azabicyclo[2.1.1]hexane is CC1C2CCC1N2C.
What is the InChIKey of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
The InChIKey is FAVCXAYKXODCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-5-6-3-4-7(5)8(6)2/h5-7H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-5-azabicyclo[2.1.1]hexane?
5,6-dimethyl-5-azabicyclo[2.1.1]hexane has a molecular weight of 111.19 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 59550543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).