1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C12H23N — CID 21106195

IUPAC1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCN1C(C)CCC2CCCCC21
InChIInChI=1S/C12H23N/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13/h10-12H,3-9H2,1-2H3
InChIKeyVKAKIHGAHPIZFM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds1

About 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 21106195) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID21106195
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCN1C(C)CCC2CCCCC21
InChIInChI=1S/C12H23N/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13/h10-12H,3-9H2,1-2H3
InChIKeyVKAKIHGAHPIZFM-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)silane
CID 174484597
1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 524515
9-ethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole;hydron
CID 118038228
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
2-[(E)-2-(3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)ethenyl]-1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 101070463
1-pentyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471942
2-tert-butyl-3-cyclohexyl-1-ethyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 70868553
1-(2-ethylsulfonylethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66469730
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-ol
CID 141269093
S-propan-2-yl 2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbothioate
CID 21484578
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 21106195) is 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCN1C(C)CCC2CCCCC21.
What is the InChIKey of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is VKAKIHGAHPIZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 181.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 21106195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).