1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline

C18H24N2 — CID 5231823

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline
SMILESC1=c2ccccc2=C(C2NCCC3CCCCC32)NC1
InChIInChI=1S/C18H24N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1,3,5,7,9,14,16,18-20H,2,4,6,8,10-12H2
InChIKeyPMTLLXSSEPPLTF-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.35
Rot. Bonds1

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline (PubChem CID 5231823) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline
PubChem CID5231823
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline
SMILESC1=c2ccccc2=C(C2NCCC3CCCCC32)NC1
InChIInChI=1S/C18H24N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1,3,5,7,9,14,16,18-20H,2,4,6,8,10-12H2
InChIKeyPMTLLXSSEPPLTF-UHFFFAOYSA-N
XLogP1.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline (CID 5231823) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline is C1=c2ccccc2=C(C2NCCC3CCCCC32)NC1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline?
The InChIKey is PMTLLXSSEPPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1,3,5,7,9,14,16,18-20H,2,4,6,8,10-12H2.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline has a molecular weight of 268.40 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)-2,3-dihydroisoquinoline is sourced from PubChem (CID 5231823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).