1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole

C17H24N2 — CID 71043258

IUPAC1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole
SMILESCC(C)N1CC2CC2(C2=CC3C=CN(C)C3C=C2)C1
InChIInChI=1S/C17H24N2/c1-12(2)19-10-15-9-17(15,11-19)14-4-5-16-13(8-14)6-7-18(16)3/h4-8,12-13,15-16H,9-11H2,1-3H3
InChIKeyYFBSBZNDBQNJKO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.66
Rot. Bonds2

About 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole

1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole (PubChem CID 71043258) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole.

Molecular Properties

Compound Name1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole
PubChem CID71043258
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole
SMILESCC(C)N1CC2CC2(C2=CC3C=CN(C)C3C=C2)C1
InChIInChI=1S/C17H24N2/c1-12(2)19-10-15-9-17(15,11-19)14-4-5-16-13(8-14)6-7-18(16)3/h4-8,12-13,15-16H,9-11H2,1-3H3
InChIKeyYFBSBZNDBQNJKO-UHFFFAOYSA-N
XLogP2.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole?
The IUPAC name of 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole (CID 71043258) is 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole.
What is the SMILES notation for 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole?
The canonical SMILES for 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole is CC(C)N1CC2CC2(C2=CC3C=CN(C)C3C=C2)C1.
What is the InChIKey of 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole?
The InChIKey is YFBSBZNDBQNJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)19-10-15-9-17(15,11-19)14-4-5-16-13(8-14)6-7-18(16)3/h4-8,12-13,15-16H,9-11H2,1-3H3.
What are the key properties of 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole?
1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole has a molecular weight of 256.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole is sourced from PubChem (CID 71043258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).