2,3-ditert-butyl-2-azabicyclo[2.2.2]octane

C15H29N — CID 71075636

IUPAC2,3-ditert-butyl-2-azabicyclo[2.2.2]octane
SMILESCC(C)(C)C1C2CCC(CC2)N1C(C)(C)C
InChIInChI=1S/C15H29N/c1-14(2,3)13-11-7-9-12(10-8-11)16(13)15(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyHZCJODHZRMSHMN-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.07
Rot. Bonds

About 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane

2,3-ditert-butyl-2-azabicyclo[2.2.2]octane (PubChem CID 71075636) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2,3-ditert-butyl-2-azabicyclo[2.2.2]octane
PubChem CID71075636
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2,3-ditert-butyl-2-azabicyclo[2.2.2]octane
SMILESCC(C)(C)C1C2CCC(CC2)N1C(C)(C)C
InChIInChI=1S/C15H29N/c1-14(2,3)13-11-7-9-12(10-8-11)16(13)15(4,5)6/h11-13H,7-10H2,1-6H3
InChIKeyHZCJODHZRMSHMN-UHFFFAOYSA-N
XLogP4.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-tert-butyl-2-cyclopropyl-2-azabicyclo[2.2.2]octane
CID 171594433
(1R,4S)-3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane;3-tert-butyl-2-methyl-2-azabicyclo[2.2.1]heptane
CID 157364347
(1R,4S)-3-tert-butyl-2-iodo-2-azabicyclo[2.2.1]heptane
CID 155147769
5,6-ditert-butyl-2-oxa-6-azabicyclo[2.2.1]heptane
CID 176747824
2,3-ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 146177033
1-(5,6-ditert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 146177085
2-tert-butyl-3-phenyl-2-azabicyclo[2.2.1]heptane
CID 157105179
N,8-ditert-butyl-8-azabicyclo[3.2.1]octan-3-amine
CID 134411103
8-tert-butyl-3-[(6-tert-butyl-3,6-diazabicyclo[3.1.1]heptan-3-yl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 176841524
(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59701515
1-(8-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2,2-dimethylpropan-1-one
CID 176736984
(2S,3aS,6aS)-1,2-ditert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole;(2S,3aS,7aS)-1,2-ditert-butyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 159306478

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane?
The IUPAC name of 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane (CID 71075636) is 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane is CC(C)(C)C1C2CCC(CC2)N1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane?
The InChIKey is HZCJODHZRMSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-14(2,3)13-11-7-9-12(10-8-11)16(13)15(4,5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane?
2,3-ditert-butyl-2-azabicyclo[2.2.2]octane has a molecular weight of 223.40 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 71075636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).