6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane

C18H35N — CID 58450094

IUPAC6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane
SMILESCC(C)C1C2CCCC(C1C(C)C)N(C(C)(C)C)C2
InChIInChI=1S/C18H35N/c1-12(2)16-14-9-8-10-15(17(16)13(3)4)19(11-14)18(5,6)7/h12-17H,8-11H2,1-7H3
InChIKeyXKFJYMBQYYAKCT-UHFFFAOYSA-N
MW265.48 g/mol
LogP4.81
Rot. Bonds2

About 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane

6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane (PubChem CID 58450094) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane
PubChem CID58450094
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane
SMILESCC(C)C1C2CCCC(C1C(C)C)N(C(C)(C)C)C2
InChIInChI=1S/C18H35N/c1-12(2)16-14-9-8-10-15(17(16)13(3)4)19(11-14)18(5,6)7/h12-17H,8-11H2,1-7H3
InChIKeyXKFJYMBQYYAKCT-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3,4-di(propan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 58449982
(1S,5S)-6-tert-butyl-6-azabicyclo[3.2.0]heptane;(1R,5R)-6-tert-butyl-6-azabicyclo[3.2.0]heptane;(1S,5R)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane;(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 157087416
1-tert-butyl-2-cyclohexylpyrrolidine
CID 155770261
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
3-tert-butyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 58403915
(1R,5S)-6-tert-butyl-3-methyl-3,6-diazabicyclo[3.2.0]heptane
CID 139364543
1-tert-butyl-5-cyclohexyl-2-propan-2-ylpiperazine
CID 64931346
1,4-ditert-butyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 164706292
(5aS,8aS)-3-[(5aS,8aR)-5-tert-butyl-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-7-yl]-5-tert-butyl-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine
CID 170062957
2-(7-azabicyclo[4.2.0]octan-7-yl)-2-methylpropanenitrile
CID 130675993
1-tert-butyl-2-(2-methylpropyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 126658069
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane?
The IUPAC name of 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane (CID 58450094) is 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane.
What is the SMILES notation for 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane?
The canonical SMILES for 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane is CC(C)C1C2CCCC(C1C(C)C)N(C(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane?
The InChIKey is XKFJYMBQYYAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-12(2)16-14-9-8-10-15(17(16)13(3)4)19(11-14)18(5,6)7/h12-17H,8-11H2,1-7H3.
What are the key properties of 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane?
6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane has a molecular weight of 265.48 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8,9-di(propan-2-yl)-6-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 58450094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).