N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine

C26H35N3 — CID 51347364

IUPACN-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine
SMILESCCNN1CC2C(c3ccccc3)CC(N3CCCC3)(CC2c2ccccc2)C1
InChIInChI=1S/C26H35N3/c1-2-27-29-19-25-23(21-11-5-3-6-12-21)17-26(20-29,28-15-9-10-16-28)18-24(25)22-13-7-4-8-14-22/h3-8,11-14,23-25,27H,2,9-10,15-20H2,1H3
InChIKeyLBKQHLDFGCNXEX-UHFFFAOYSA-N
MW389.59 g/mol
LogP4.64
Rot. Bonds5

About N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine

N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine (PubChem CID 51347364) has the molecular formula C26H35N3 and a molecular weight of 389.59 g/mol. Its IUPAC name is N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine.

Molecular Properties

Compound NameN-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine
PubChem CID51347364
Molecular FormulaC26H35N3
Molecular Weight389.59 g/mol
Exact Mass389.28
IUPAC NameN-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine
SMILESCCNN1CC2C(c3ccccc3)CC(N3CCCC3)(CC2c2ccccc2)C1
InChIInChI=1S/C26H35N3/c1-2-27-29-19-25-23(21-11-5-3-6-12-21)17-26(20-29,28-15-9-10-16-28)18-24(25)22-13-7-4-8-14-22/h3-8,11-14,23-25,27H,2,9-10,15-20H2,1H3
InChIKeyLBKQHLDFGCNXEX-UHFFFAOYSA-N
XLogP4.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.59
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine?
The IUPAC name of N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine (CID 51347364) is N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine.
What is the SMILES notation for N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine?
The canonical SMILES for N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine is CCNN1CC2C(c3ccccc3)CC(N3CCCC3)(CC2c2ccccc2)C1.
What is the InChIKey of N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine?
The InChIKey is LBKQHLDFGCNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3/c1-2-27-29-19-25-23(21-11-5-3-6-12-21)17-26(20-29,28-15-9-10-16-28)18-24(25)22-13-7-4-8-14-22/h3-8,11-14,23-25,27H,2,9-10,15-20H2,1H3.
What are the key properties of N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine?
N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine has a molecular weight of 389.59 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,9-diphenyl-1-pyrrolidin-1-yl-3-azabicyclo[3.2.2]nonan-3-amine is sourced from PubChem (CID 51347364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).