(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine

C18H36N2 — CID 159513333

IUPAC(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine
SMILESCC[C@@H]1CCCN1C.CC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C
InChIInChI=1S/C11H21N.C7H15N/c1-3-10-8-9-6-4-5-7-11(9)12(10)2;1-3-7-5-4-6-8(7)2/h9-11H,3-8H2,1-2H3;7H,3-6H2,1-2H3/t9-,10+,11-;7-/m01/s1
InChIKeyMAWLBNRNSHSEOA-APZZFUDNSA-N
MW280.50 g/mol
LogP4.15
Rot. Bonds2

About (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine

(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine (PubChem CID 159513333) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine
PubChem CID159513333
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine
SMILESCC[C@@H]1CCCN1C.CC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C
InChIInChI=1S/C11H21N.C7H15N/c1-3-10-8-9-6-4-5-7-11(9)12(10)2;1-3-7-5-4-6-8(7)2/h9-11H,3-8H2,1-2H3;7H,3-6H2,1-2H3/t9-,10+,11-;7-/m01/s1
InChIKeyMAWLBNRNSHSEOA-APZZFUDNSA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-ethyl-1-methylpyrrolidine;hydrofluoride
CID 162730747
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
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CID 59055350
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
5-ethyl-4-methyl-4-azabicyclo[10.3.1]hexadecane
CID 170112638
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
2,7-diethyl-1-methylazepane
CID 146499185
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
2-cyclopentyl-5-ethyl-3-[(1-methylpyrrolidin-2-yl)methyl]imidazolidin-4-one
CID 106021844
(2R,4S)-2-ethyl-1,4-dimethylpyrrolidine;(2R)-2-ethyl-1-methylpyrrolidine;(3S,5R)-5-ethyl-1,2,3-trimethylpyrrolidine;pentane
CID 159844642
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine?
The IUPAC name of (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine (CID 159513333) is (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine.
What is the SMILES notation for (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine?
The canonical SMILES for (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine is CC[C@@H]1CCCN1C.CC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C.
What is the InChIKey of (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine?
The InChIKey is MAWLBNRNSHSEOA-APZZFUDNSA-N. The full InChI is InChI=1S/C11H21N.C7H15N/c1-3-10-8-9-6-4-5-7-11(9)12(10)2;1-3-7-5-4-6-8(7)2/h9-11H,3-8H2,1-2H3;7H,3-6H2,1-2H3/t9-,10+,11-;7-/m01/s1.
What are the key properties of (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine?
(2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine has a molecular weight of 280.50 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-2-ethyl-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole;(2R)-2-ethyl-1-methylpyrrolidine is sourced from PubChem (CID 159513333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).