5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline

C12H19NO — CID 176923382

IUPAC5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
SMILESCC(C)OC1=CCCC2=C1CCNC2
InChIInChI=1S/C12H19NO/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12/h5,9,13H,3-4,6-8H2,1-2H3
InChIKeyWLEWDKKKWQCPPI-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.38
Rot. Bonds2

About 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline

5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline (PubChem CID 176923382) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline.

Molecular Properties

Compound Name5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
PubChem CID176923382
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
SMILESCC(C)OC1=CCCC2=C1CCNC2
InChIInChI=1S/C12H19NO/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12/h5,9,13H,3-4,6-8H2,1-2H3
InChIKeyWLEWDKKKWQCPPI-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
The IUPAC name of 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline (CID 176923382) is 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline.
What is the SMILES notation for 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
The canonical SMILES for 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline is CC(C)OC1=CCCC2=C1CCNC2.
What is the InChIKey of 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
The InChIKey is WLEWDKKKWQCPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(2)14-12-5-3-4-10-8-13-7-6-11(10)12/h5,9,13H,3-4,6-8H2,1-2H3.
What are the key properties of 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline?
5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline has a molecular weight of 193.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline is sourced from PubChem (CID 176923382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).