5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole

C16H22N2 — CID 71043259

IUPAC5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole
SMILESCCN1CC2CC2(C2=CC3C=CN(C)C3C=C2)C1
InChIInChI=1S/C16H22N2/c1-3-18-10-14-9-16(14,11-18)13-4-5-15-12(8-13)6-7-17(15)2/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeyQSHILWYRBMCIDU-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.27
Rot. Bonds2

About 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole

5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole (PubChem CID 71043259) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole.

Molecular Properties

Compound Name5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole
PubChem CID71043259
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole
SMILESCCN1CC2CC2(C2=CC3C=CN(C)C3C=C2)C1
InChIInChI=1S/C16H22N2/c1-3-18-10-14-9-16(14,11-18)13-4-5-15-12(8-13)6-7-17(15)2/h4-8,12,14-15H,3,9-11H2,1-2H3
InChIKeyQSHILWYRBMCIDU-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole?
The IUPAC name of 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole (CID 71043259) is 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole.
What is the SMILES notation for 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole?
The canonical SMILES for 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole is CCN1CC2CC2(C2=CC3C=CN(C)C3C=C2)C1.
What is the InChIKey of 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole?
The InChIKey is QSHILWYRBMCIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-18-10-14-9-16(14,11-18)13-4-5-15-12(8-13)6-7-17(15)2/h4-8,12,14-15H,3,9-11H2,1-2H3.
What are the key properties of 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole?
5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole has a molecular weight of 242.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole is sourced from PubChem (CID 71043259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).