(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine

C11H22N2 — CID 58707401

IUPAC(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)(C)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C11H22N2/c1-11(2,3)12-10-8-13-6-4-9(10)5-7-13/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyKBWQEEMUHVASMZ-JTQLQIEISA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds1

About (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine

(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 58707401) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID58707401
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)(C)N[C@H]1CN2CCC1CC2
InChIInChI=1S/C11H22N2/c1-11(2,3)12-10-8-13-6-4-9(10)5-7-13/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyKBWQEEMUHVASMZ-JTQLQIEISA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952724
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,2-dimethylpropanamide
CID 952725
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520
1-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,3-dimethylbutan-2-ol
CID 114492721
N-[(4-tert-butylcyclohexyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 104574757
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
3-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266274
N-(2,6-dimethylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195015
(3S)-N-(cyclopropylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28948976
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55209645
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 28596292

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine (CID 58707401) is (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine is CC(C)(C)N[C@H]1CN2CCC1CC2.
What is the InChIKey of (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is KBWQEEMUHVASMZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2/c1-11(2,3)12-10-8-13-6-4-9(10)5-7-13/h9-10,12H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine?
(3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 58707401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).