3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline

C14H19N — CID 123743908

IUPAC3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline
SMILESC=CC1=NCC2(C)CCC(CC)=CC2=C1
InChIInChI=1S/C14H19N/c1-4-11-6-7-14(3)10-15-13(5-2)9-12(14)8-11/h5,8-9H,2,4,6-7,10H2,1,3H3
InChIKeyKHSCGLUBWXKEKR-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.69
Rot. Bonds2

About 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline

3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline (PubChem CID 123743908) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline
PubChem CID123743908
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline
SMILESC=CC1=NCC2(C)CCC(CC)=CC2=C1
InChIInChI=1S/C14H19N/c1-4-11-6-7-14(3)10-15-13(5-2)9-12(14)8-11/h5,8-9H,2,4,6-7,10H2,1,3H3
InChIKeyKHSCGLUBWXKEKR-UHFFFAOYSA-N
XLogP3.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
1-Methyl-2-azaspiro[5.5]undeca-1,9-diene
CID 154719804
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 10965517
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
7,7-dimethyl-8,8a-dihydro-6H-quinoline
CID 57147836
18-Ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57196680
8-Azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57316047

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline?
The IUPAC name of 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline (CID 123743908) is 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline.
What is the SMILES notation for 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline?
The canonical SMILES for 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline is C=CC1=NCC2(C)CCC(CC)=CC2=C1.
What is the InChIKey of 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline?
The InChIKey is KHSCGLUBWXKEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-4-11-6-7-14(3)10-15-13(5-2)9-12(14)8-11/h5,8-9H,2,4,6-7,10H2,1,3H3.
What are the key properties of 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline?
3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline has a molecular weight of 201.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-ethyl-8a-methyl-7,8-dihydro-1H-isoquinoline is sourced from PubChem (CID 123743908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).