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

C10H19N — CID 71362985

IUPAC(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
SMILESC[C@@]12CCCC[C@@H]1NCCC2
InChIInChI=1S/C10H19N/c1-10-6-3-2-5-9(10)11-8-4-7-10/h9,11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyMBQXXEKLNYIWMP-UWVGGRQHSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

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

(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline (PubChem CID 71362985) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline.

Molecular Properties

Compound Name(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
PubChem CID71362985
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline
SMILESC[C@@]12CCCC[C@@H]1NCCC2
InChIInChI=1S/C10H19N/c1-10-6-3-2-5-9(10)11-8-4-7-10/h9,11H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyMBQXXEKLNYIWMP-UWVGGRQHSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
The IUPAC name of (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline (CID 71362985) is (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline.
What is the SMILES notation for (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
The canonical SMILES for (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline is C[C@@]12CCCC[C@@H]1NCCC2.
What is the InChIKey of (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
The InChIKey is MBQXXEKLNYIWMP-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19N/c1-10-6-3-2-5-9(10)11-8-4-7-10/h9,11H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline?
(4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinoline is sourced from PubChem (CID 71362985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).