5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine

C10H16N2O — CID 134321982

IUPAC5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine
SMILESCC(C)OC1=C2CCC(=C1N)NC2
InChIInChI=1S/C10H16N2O/c1-6(2)13-10-7-3-4-8(9(10)11)12-5-7/h6,12H,3-5,11H2,1-2H3
InChIKeyCDOGYRQAUNMBTQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.23
Rot. Bonds2

About 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine

5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine (PubChem CID 134321982) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine.

Molecular Properties

Compound Name5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine
PubChem CID134321982
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine
SMILESCC(C)OC1=C2CCC(=C1N)NC2
InChIInChI=1S/C10H16N2O/c1-6(2)13-10-7-3-4-8(9(10)11)12-5-7/h6,12H,3-5,11H2,1-2H3
InChIKeyCDOGYRQAUNMBTQ-UHFFFAOYSA-N
XLogP1.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine?
The IUPAC name of 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine (CID 134321982) is 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine.
What is the SMILES notation for 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine?
The canonical SMILES for 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine is CC(C)OC1=C2CCC(=C1N)NC2.
What is the InChIKey of 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine?
The InChIKey is CDOGYRQAUNMBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)13-10-7-3-4-8(9(10)11)12-5-7/h6,12H,3-5,11H2,1-2H3.
What are the key properties of 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine?
5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine has a molecular weight of 180.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-2-azabicyclo[2.2.2]octa-1(6),4-dien-6-amine is sourced from PubChem (CID 134321982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).