3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)

C17H31N3Y2-2 — CID 167707490

IUPAC3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)
SMILESCC(C)C1CC2CC(C1)[N-]2.CC(C)N1CC2CC(C1)[N-]2.[Y].[Y]
InChIInChI=1S/C9H16N.C8H15N2.2Y/c1-6(2)7-3-8-5-9(4-7)10-8;1-6(2)10-4-7-3-8(5-10)9-7;;/h6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;;/q2*-1;;
InChIKeyORFSISYQPFTJHN-UHFFFAOYSA-N
MW455.27 g/mol
LogP3.79
Rot. Bonds2

About 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)

3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium) (PubChem CID 167707490) has the molecular formula C17H31N3Y2-2 and a molecular weight of 455.27 g/mol. Its IUPAC name is 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium).

Molecular Properties

Compound Name3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)
PubChem CID167707490
Molecular FormulaC17H31N3Y2-2
Molecular Weight455.27 g/mol
Exact Mass455.06
IUPAC Name3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)
SMILESCC(C)C1CC2CC(C1)[N-]2.CC(C)N1CC2CC(C1)[N-]2.[Y].[Y]
InChIInChI=1S/C9H16N.C8H15N2.2Y/c1-6(2)7-3-8-5-9(4-7)10-8;1-6(2)10-4-7-3-8(5-10)9-7;;/h6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;;/q2*-1;;
InChIKeyORFSISYQPFTJHN-UHFFFAOYSA-N
XLogP3.79
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium) with MolForge

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Related Compounds

3-Propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;6-propan-2-yl-6-aza-3-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;tris(yttrium)
CID 158888370
3,3,4,4,11,11,12-Heptamethyl-2,5,10-triazapentacyclo[11.3.1.15,9.02,15.07,10]octadecane
CID 166996572
6-Tert-butyl-3-[5-(6-tert-butyl-6-azabicyclo[3.1.1]heptan-3-yl)-2,5-dimethylhexan-2-yl]-3,6-diazabicyclo[3.1.1]heptane
CID 167049647

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)?
The IUPAC name of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium) (CID 167707490) is 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium).
What is the SMILES notation for 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)?
The canonical SMILES for 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium) is CC(C)C1CC2CC(C1)[N-]2.CC(C)N1CC2CC(C1)[N-]2.[Y].[Y].
What is the InChIKey of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)?
The InChIKey is ORFSISYQPFTJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N.C8H15N2.2Y/c1-6(2)7-3-8-5-9(4-7)10-8;1-6(2)10-4-7-3-8(5-10)9-7;;/h6-9H,3-5H2,1-2H3;6-8H,3-5H2,1-2H3;;/q2*-1;;.
What are the key properties of 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium)?
3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium) has a molecular weight of 455.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3-aza-6-azanidabicyclo[3.1.1]heptane;3-propan-2-yl-6-azanidabicyclo[3.1.1]heptane;bis(yttrium) is sourced from PubChem (CID 167707490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).