(1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane

C24H46N4 — CID 135278841

IUPAC(1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C
InChIInChI=1S/C24H46N4/c1-21(2,3)25-13-19-11-17(25)15-27(19)23(7,8)24(9,10)28-16-18-12-20(28)14-26(18)22(4,5)6/h17-20H,11-16H2,1-10H3/t17-,18+,19-,20+
InChIKeyZCKHJLFMOMICRN-FGYAAKKASA-N
MW390.66 g/mol
LogP3.66
Rot. Bonds3

About (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 135278841) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
PubChem CID135278841
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name(1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C
InChIInChI=1S/C24H46N4/c1-21(2,3)25-13-19-11-17(25)15-27(19)23(7,8)24(9,10)28-16-18-12-20(28)14-26(18)22(4,5)6/h17-20H,11-16H2,1-10H3/t17-,18+,19-,20+
InChIKeyZCKHJLFMOMICRN-FGYAAKKASA-N
XLogP3.66
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane (CID 135278841) is (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane is CC(C)(C)N1C[C@H]2C[C@@H]1CN2C(C)(C)C(C)(C)N1C[C@@H]2C[C@H]1CN2C(C)(C)C.
What is the InChIKey of (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is ZCKHJLFMOMICRN-FGYAAKKASA-N. The full InChI is InChI=1S/C24H46N4/c1-21(2,3)25-13-19-11-17(25)15-27(19)23(7,8)24(9,10)28-16-18-12-20(28)14-26(18)22(4,5)6/h17-20H,11-16H2,1-10H3/t17-,18+,19-,20+.
What are the key properties of (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane?
(1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 390.66 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-tert-butyl-5-[3-[(1S,4S)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dimethylbutan-2-yl]-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 135278841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).