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

C10H19N — CID 143862293

IUPAC(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCN1CCC[C@H]2CCCCC21
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-YHMJZVADSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds

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

(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 143862293) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID143862293
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCN1CCC[C@H]2CCCCC21
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-YHMJZVADSA-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

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Frequently Asked Questions

What is the IUPAC name of (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 143862293) is (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CN1CCC[C@H]2CCCCC21.
What is the InChIKey of (4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is AAARTTJTRNAYHQ-YHMJZVADSA-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)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
(4aR)-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)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 143862293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).