1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

C18H26N2 — CID 82752757

IUPAC1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CN1CCC2CCCCC21
InChIInChI=1S/C18H26N2/c1-3-7-16-14(5-1)9-11-19-17(16)13-20-12-10-15-6-2-4-8-18(15)20/h1,3,5,7,15,17-19H,2,4,6,8-13H2
InChIKeyQEAGOQLKEYYKND-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.14
Rot. Bonds2

About 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline

1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82752757) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82752757
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CN1CCC2CCCCC21
InChIInChI=1S/C18H26N2/c1-3-7-16-14(5-1)9-11-19-17(16)13-20-12-10-15-6-2-4-8-18(15)20/h1,3,5,7,15,17-19H,2,4,6,8-13H2
InChIKeyQEAGOQLKEYYKND-UHFFFAOYSA-N
XLogP3.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline (CID 82752757) is 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2CN1CCC2CCCCC21.
What is the InChIKey of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QEAGOQLKEYYKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-7-16-14(5-1)9-11-19-17(16)13-20-12-10-15-6-2-4-8-18(15)20/h1,3,5,7,15,17-19H,2,4,6,8-13H2.
What are the key properties of 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline?
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 270.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82752757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).