2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane

C19H36N4 — CID 176841308

IUPAC2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)N1CC2CCC1CN2CN1C[C@H]2C[C@@H]1CN2C(C)(C)C
InChIInChI=1S/C19H36N4/c1-14(2)22-11-15-6-7-16(22)9-20(15)13-21-10-18-8-17(21)12-23(18)19(3,4)5/h14-18H,6-13H2,1-5H3/t15?,16?,17-,18-/m1/s1
InChIKeyGMULCBMTLGOXFM-OPQOLIRYSA-N
MW320.53 g/mol
LogP2.06
Rot. Bonds3

About 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane

2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane (PubChem CID 176841308) has the molecular formula C19H36N4 and a molecular weight of 320.53 g/mol. Its IUPAC name is 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
PubChem CID176841308
Molecular FormulaC19H36N4
Molecular Weight320.53 g/mol
Exact Mass320.29
IUPAC Name2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane
SMILESCC(C)N1CC2CCC1CN2CN1C[C@H]2C[C@@H]1CN2C(C)(C)C
InChIInChI=1S/C19H36N4/c1-14(2)22-11-15-6-7-16(22)9-20(15)13-21-10-18-8-17(21)12-23(18)19(3,4)5/h14-18H,6-13H2,1-5H3/t15?,16?,17-,18-/m1/s1
InChIKeyGMULCBMTLGOXFM-OPQOLIRYSA-N
XLogP2.06
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
The IUPAC name of 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane (CID 176841308) is 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane.
What is the SMILES notation for 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
The canonical SMILES for 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane is CC(C)N1CC2CCC1CN2CN1C[C@H]2C[C@@H]1CN2C(C)(C)C.
What is the InChIKey of 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
The InChIKey is GMULCBMTLGOXFM-OPQOLIRYSA-N. The full InChI is InChI=1S/C19H36N4/c1-14(2)22-11-15-6-7-16(22)9-20(15)13-21-10-18-8-17(21)12-23(18)19(3,4)5/h14-18H,6-13H2,1-5H3/t15?,16?,17-,18-/m1/s1.
What are the key properties of 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane?
2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane has a molecular weight of 320.53 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,4R)-5-tert-butyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-5-propan-2-yl-2,5-diazabicyclo[2.2.2]octane is sourced from PubChem (CID 176841308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).