1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane

C11H21NO — CID 68830723

IUPAC1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane
SMILESC1=C2CNCCC2CCC1.COC
InChIInChI=1S/C9H15N.C2H6O/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-2/h4,8,10H,1-3,5-7H2;1-2H3
InChIKeyXVNLYTLDJRKTMK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds

About 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane

1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane (PubChem CID 68830723) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane
PubChem CID68830723
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane
SMILESC1=C2CNCCC2CCC1.COC
InChIInChI=1S/C9H15N.C2H6O/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-2/h4,8,10H,1-3,5-7H2;1-2H3
InChIKeyXVNLYTLDJRKTMK-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane?
The IUPAC name of 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane (CID 68830723) is 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane?
The canonical SMILES for 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane is C1=C2CNCCC2CCC1.COC.
What is the InChIKey of 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane?
The InChIKey is XVNLYTLDJRKTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C2H6O/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-2/h4,8,10H,1-3,5-7H2;1-2H3.
What are the key properties of 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane?
1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane has a molecular weight of 183.29 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7-octahydroisoquinoline;methoxymethane is sourced from PubChem (CID 68830723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).