2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane

C186H359N13 — CID 164977365

IUPAC2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C16H30.2C15H29N.2C15H28.C14H28N2.5C14H27N.2C13H26N2/c1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;2*1-14(2,3)12-8-10-7-11(9-12)13(10)15(4,5)6;1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6;2*1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;2*1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h11-14H,7-10H2,1-6H3;2*11-13H,7-10H2,1-6H3;2*10-13H,7-9H2,1-6H3;11-12H,7-10H2,1-6H3;5*10-12H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3
InChIKeyDZAPOVKCUJRGFW-UHFFFAOYSA-N
MW2778.01 g/mol
LogP47.60
Rot. Bonds

About 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane

2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 164977365) has the molecular formula C186H359N13 and a molecular weight of 2778.01 g/mol. Its IUPAC name is 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID164977365
Molecular FormulaC186H359N13
Molecular Weight2778.01 g/mol
Exact Mass2775.85
IUPAC Name2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C
InChIInChI=1S/C16H30.2C15H29N.2C15H28.C14H28N2.5C14H27N.2C13H26N2/c1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;2*1-14(2,3)12-8-10-7-11(9-12)13(10)15(4,5)6;1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6;2*1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;2*1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h11-14H,7-10H2,1-6H3;2*11-13H,7-10H2,1-6H3;2*10-13H,7-9H2,1-6H3;11-12H,7-10H2,1-6H3;5*10-12H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3
InChIKeyDZAPOVKCUJRGFW-UHFFFAOYSA-N
XLogP47.60
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002778.01
LogP ≤ 547.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]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

Frequently Asked Questions

What is the IUPAC name of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane (CID 164977365) is 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane is CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CC1CN(C(C)(C)C)C2.CC(C)(C)C1C2CCC1CN(C(C)(C)C)C2.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC(C1)N2C(C)(C)C.CC(C)(C)C1CC2CC1CN2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)C2C(C)(C)C.CC(C)(C)C1CC2CCC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CC(C1)N2C(C)(C)C.CC(C)(C)N1CC2CCC(C1)N2C(C)(C)C.
What is the InChIKey of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is DZAPOVKCUJRGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30.2C15H29N.2C15H28.C14H28N2.5C14H27N.2C13H26N2/c1-15(2,3)13-9-11-7-8-12(10-13)14(11)16(4,5)6;1-14(2,3)11-9-12-7-8-13(10-11)16(12)15(4,5)6;1-14(2,3)13-11-7-8-12(13)10-16(9-11)15(4,5)6;2*1-14(2,3)12-8-10-7-11(9-12)13(10)15(4,5)6;1-13(2,3)15-9-11-7-8-12(10-15)16(11)14(4,5)6;1-13(2,3)12-8-11-7-10(12)9-15(11)14(4,5)6;2*1-13(2,3)12-10-7-11(12)9-15(8-10)14(4,5)6;2*1-13(2,3)10-7-11-9-12(8-10)15(11)14(4,5)6;2*1-12(2,3)14-8-10-7-11(9-14)15(10)13(4,5)6/h11-14H,7-10H2,1-6H3;2*11-13H,7-10H2,1-6H3;2*10-13H,7-9H2,1-6H3;11-12H,7-10H2,1-6H3;5*10-12H,7-9H2,1-6H3;2*10-11H,7-9H2,1-6H3.
What are the key properties of 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane?
2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 2778.01 g/mol, XLogP of 47.60, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-ditert-butyl-2-azabicyclo[2.2.1]heptane;bis(3,6-ditert-butyl-3-azabicyclo[3.1.1]heptane);bis(3,6-ditert-butyl-6-azabicyclo[3.1.1]heptane);3,8-ditert-butyl-3-azabicyclo[3.2.1]octane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;bis(3,6-ditert-butylbicyclo[3.1.1]heptane);3,8-ditert-butylbicyclo[3.2.1]octane;bis(3,6-ditert-butyl-3,6-diazabicyclo[3.1.1]heptane);3,8-ditert-butyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 164977365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).