4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole

C20H26N2 — CID 89021879

IUPAC4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole
SMILESC=C(c1cccc2[nH]ccc12)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C20H26N2/c1-14(16-6-5-7-18-17(16)8-9-21-18)22-13-20(4)11-15(22)10-19(2,3)12-20/h5-9,15,21H,1,10-13H2,2-4H3
InChIKeyZWOJNEFBLFRXJM-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.04
Rot. Bonds2

About 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole

4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole (PubChem CID 89021879) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole.

Molecular Properties

Compound Name4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole
PubChem CID89021879
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole
SMILESC=C(c1cccc2[nH]ccc12)N1CC2(C)CC1CC(C)(C)C2
InChIInChI=1S/C20H26N2/c1-14(16-6-5-7-18-17(16)8-9-21-18)22-13-20(4)11-15(22)10-19(2,3)12-20/h5-9,15,21H,1,10-13H2,2-4H3
InChIKeyZWOJNEFBLFRXJM-UHFFFAOYSA-N
XLogP5.04
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole?
The IUPAC name of 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole (CID 89021879) is 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole.
What is the SMILES notation for 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole?
The canonical SMILES for 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole is C=C(c1cccc2[nH]ccc12)N1CC2(C)CC1CC(C)(C)C2.
What is the InChIKey of 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole?
The InChIKey is ZWOJNEFBLFRXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-14(16-6-5-7-18-17(16)8-9-21-18)22-13-20(4)11-15(22)10-19(2,3)12-20/h5-9,15,21H,1,10-13H2,2-4H3.
What are the key properties of 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole?
4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole has a molecular weight of 294.44 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethenyl]-1H-indole is sourced from PubChem (CID 89021879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).