(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane

C12H23N — CID 146426777

IUPAC(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
SMILESCC(C)(C)N1CC2CCC[C@@H]1CC2
InChIInChI=1S/C12H23N/c1-12(2,3)13-9-10-5-4-6-11(13)8-7-10/h10-11H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyISSFMOFVONYIMH-RRKGBCIJSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds

About (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane

(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane (PubChem CID 146426777) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
PubChem CID146426777
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane
SMILESCC(C)(C)N1CC2CCC[C@@H]1CC2
InChIInChI=1S/C12H23N/c1-12(2,3)13-9-10-5-4-6-11(13)8-7-10/h10-11H,4-9H2,1-3H3/t10?,11-/m1/s1
InChIKeyISSFMOFVONYIMH-RRKGBCIJSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-butyl-6-azabicyclo[3.2.1]octane
CID 153491969
(1S,4R)-2-tert-butyl-2-azabicyclo[2.2.1]heptane
CID 58465134
bis(2-tert-butyl-2-azabicyclo[2.2.1]heptane);3-tert-butyl-3-azabicyclo[3.1.1]heptane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);3-tert-butyl-3-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;ethane
CID 167619112
2-tert-butyl-2-azabicyclo[3.2.2]nonane
CID 58465122
2,5-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane;ethane
CID 161246587
2-(3,3-dimethylbutyl)-2-azabicyclo[2.2.2]octane
CID 129231471
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
(1S,4S)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane;(1R,4R)-2-tert-butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 160727346
2-tert-butyl-5-(1-tert-butylazetidin-3-yl)-2,5-diazabicyclo[2.2.2]octane
CID 171445129
CID 157364506
CID 157364506
8-methyl-8-azabicyclo[3.2.1]octane;2-methylpropane
CID 177033285
1-tert-butyl-2-methylaziridine
CID 15557486

Frequently Asked Questions

What is the IUPAC name of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
The IUPAC name of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane (CID 146426777) is (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane.
What is the SMILES notation for (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
The canonical SMILES for (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane is CC(C)(C)N1CC2CCC[C@@H]1CC2.
What is the InChIKey of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
The InChIKey is ISSFMOFVONYIMH-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2,3)13-9-10-5-4-6-11(13)8-7-10/h10-11H,4-9H2,1-3H3/t10?,11-/m1/s1.
What are the key properties of (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane?
(5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane has a molecular weight of 181.32 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-tert-butyl-6-azabicyclo[3.2.2]nonane is sourced from PubChem (CID 146426777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).