13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline

C18H21N — CID 169035410

IUPAC13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline
SMILESCC1C2C=CC=CC2CN2CCc3ccccc3C12
InChIInChI=1S/C18H21N/c1-13-16-8-4-3-7-15(16)12-19-11-10-14-6-2-5-9-17(14)18(13)19/h2-9,13,15-16,18H,10-12H2,1H3
InChIKeyUFKAPAWVBPXNFV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.59
Rot. Bonds

About 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline

13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline (PubChem CID 169035410) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline.

Molecular Properties

Compound Name13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline
PubChem CID169035410
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline
SMILESCC1C2C=CC=CC2CN2CCc3ccccc3C12
InChIInChI=1S/C18H21N/c1-13-16-8-4-3-7-15(16)12-19-11-10-14-6-2-5-9-17(14)18(13)19/h2-9,13,15-16,18H,10-12H2,1H3
InChIKeyUFKAPAWVBPXNFV-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline with MolForge

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Related Compounds

7-azatetracyclo[8.4.0.02,7.03,5]tetradeca-1(14),10,12-triene
CID 105441719
2-methyl-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 135003203
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] (1S)-1-(6-methylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 143705264
(1R,2R)-11,14-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,17,19,21-hexaen-12-one
CID 11098751
(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-amine
CID 12940176
2-[(1S,2S)-2-methyl-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-1,3-dihydroisoindole
CID 135219400
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 23043046
(1R)-2-hydroxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 14951933
4,6,7,11b-tetrahydro-3H-benzo[a]quinolizin-2-ol
CID 168764237
(1R,2R)-11-methyl-14-aza-11-azoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,17,19,21-hexaene bromide
CID 11014501
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
(2R,11bR)-2-chloro-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine
CID 86337762

Frequently Asked Questions

What is the IUPAC name of 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline?
The IUPAC name of 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline (CID 169035410) is 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline.
What is the SMILES notation for 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline?
The canonical SMILES for 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline is CC1C2C=CC=CC2CN2CCc3ccccc3C12.
What is the InChIKey of 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline?
The InChIKey is UFKAPAWVBPXNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-13-16-8-4-3-7-15(16)12-19-11-10-14-6-2-5-9-17(14)18(13)19/h2-9,13,15-16,18H,10-12H2,1H3.
What are the key properties of 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline?
13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline has a molecular weight of 251.37 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-6,8,8a,12a,13,13a-hexahydro-5H-isoquinolino[2,1-b]isoquinoline is sourced from PubChem (CID 169035410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).