bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane

C88H170N6 — CID 165051266

IUPACbis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CC2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C
InChIInChI=1S/C16H30.2C15H29N.C14H28N2.2C14H27N/c1-15(2,3)13-9-12-8-7-11(13)10-14(12)16(4,5)6;2*1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6/h11-14H,7-10H2,1-6H3;2*11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3
InChIKeyPRUKDHRDPCZGDO-UHFFFAOYSA-N
MW1312.37 g/mol
LogP22.81
Rot. Bonds

About bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane

bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 165051266) has the molecular formula C88H170N6 and a molecular weight of 1312.37 g/mol. Its IUPAC name is bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Namebis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
PubChem CID165051266
Molecular FormulaC88H170N6
Molecular Weight1312.37 g/mol
Exact Mass1311.35
IUPAC Namebis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CC2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C
InChIInChI=1S/C16H30.2C15H29N.C14H28N2.2C14H27N/c1-15(2,3)13-9-12-8-7-11(13)10-14(12)16(4,5)6;2*1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6/h11-14H,7-10H2,1-6H3;2*11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3
InChIKeyPRUKDHRDPCZGDO-UHFFFAOYSA-N
XLogP22.81
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001312.37
LogP ≤ 522.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(tert-butylcyclohexane);bis(tert-butylcyclopentane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;(2R)-2-tert-butyl-1-methylpyrrolidine;(2S)-2-tert-butyl-1-methylpyrrolidine;bis(1-tert-butylpiperidine);methane
CID 159296584
Bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;2,5-ditert-butylbicyclo[2.2.2]octane;3,8-ditert-butylbicyclo[3.2.1]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane
CID 164983367

Frequently Asked Questions

What is the IUPAC name of bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane (CID 165051266) is bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane is CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CC2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC1CN2C(C)(C)C.CC(C)(C)N1CC2CCC1CN2C(C)(C)C.
What is the InChIKey of bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is PRUKDHRDPCZGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.2C15H29N.C14H28N2.2C14H27N/c1-15(2,3)13-9-12-8-7-11(13)10-14(12)16(4,5)6;2*1-14(2,3)13-9-12-8-7-11(13)10-16(12)15(4,5)6;1-13(2,3)15-9-12-8-7-11(15)10-16(12)14(4,5)6;2*1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6/h11-14H,7-10H2,1-6H3;2*11-13H,7-10H2,1-6H3;11-12H,7-10H2,1-6H3;2*10-12H,7-9H2,1-6H3.
What are the key properties of bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane?
bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 1312.37 g/mol, XLogP of 22.81, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane);bis(2,5-ditert-butyl-2-azabicyclo[2.2.2]octane);2,5-ditert-butylbicyclo[2.2.2]octane;2,5-ditert-butyl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 165051266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).