1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane

C13H23N3 — CID 91241962

IUPAC1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane
SMILESCN1C[C@@]2(C34CCCC(CC3)N4)C[C@@H]1CN2
InChIInChI=1S/C13H23N3/c1-16-9-13(7-11(16)8-14-13)12-5-2-3-10(15-12)4-6-12/h10-11,14-15H,2-9H2,1H3/t10?,11-,12?,13-/m1/s1
InChIKeyPYQUUYSDEYHEOG-POOIEITISA-N
MW221.35 g/mol
LogP0.71
Rot. Bonds1

About 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane

1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane (PubChem CID 91241962) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane
PubChem CID91241962
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane
SMILESCN1C[C@@]2(C34CCCC(CC3)N4)C[C@@H]1CN2
InChIInChI=1S/C13H23N3/c1-16-9-13(7-11(16)8-14-13)12-5-2-3-10(15-12)4-6-12/h10-11,14-15H,2-9H2,1H3/t10?,11-,12?,13-/m1/s1
InChIKeyPYQUUYSDEYHEOG-POOIEITISA-N
XLogP0.71
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane (CID 91241962) is 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane is CN1C[C@@]2(C34CCCC(CC3)N4)C[C@@H]1CN2.
What is the InChIKey of 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane?
The InChIKey is PYQUUYSDEYHEOG-POOIEITISA-N. The full InChI is InChI=1S/C13H23N3/c1-16-9-13(7-11(16)8-14-13)12-5-2-3-10(15-12)4-6-12/h10-11,14-15H,2-9H2,1H3/t10?,11-,12?,13-/m1/s1.
What are the key properties of 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane?
1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane has a molecular weight of 221.35 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-1-yl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91241962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).