(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C10H19N — CID 642630

IUPAC(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyAAARTTJTRNAYHQ-NXEZZACHSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds

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

(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 642630) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID642630
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCN1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3/t9-,10-/m1/s1
InChIKeyAAARTTJTRNAYHQ-NXEZZACHSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

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Related Compounds

(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
1-methyl-2-(oxan-4-yl)pyrrolidine
CID 76626708
1-ethyl-4-(1-methylpyrrolidin-2-yl)piperidine
CID 178005282
(1R,7R)-2-methyl-2,10-diazabicyclo[5.5.0]dodecane
CID 96627762
ethane;1-methyl-3,3a,4,5,6,7,8,8a-octahydro-2H-cyclohepta[b]pyrrole;octane
CID 143140739
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol
CID 20513234
1-methyl-2-(4-prop-2-enylcyclohexyl)pyrrolidine
CID 143494169
(1S,7R)-2-methyl-2,11-diazabicyclo[5.5.0]dodecane
CID 96627763
(4aS,7aS)-6-bromo-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 89020740
(2S)-2-[4-(azacyclododec-2-yl)cyclohexyl]-1-methyl-azacyclododecane
CID 90429318
2-methyl-2-azatricyclo[11.7.0.03,9]icosane
CID 155380713

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 642630) is (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CN1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is AAARTTJTRNAYHQ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h9-10H,2-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 153.27 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 642630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).