N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride

C22H29ClN2 — CID 118728467

IUPACN,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
SMILESCN(C)C12CNCC(C(c3ccccc3)C1)C(c1ccccc1)C2.Cl
InChIInChI=1S/C22H28N2.ClH/c1-24(2)22-13-19(17-9-5-3-6-10-17)21(15-23-16-22)20(14-22)18-11-7-4-8-12-18;/h3-12,19-21,23H,13-16H2,1-2H3;1H
InChIKeyPZRQTTVXUQBYIK-UHFFFAOYSA-N
MW356.94 g/mol
LogP4.29
Rot. Bonds3

About N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride

N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride (PubChem CID 118728467) has the molecular formula C22H29ClN2 and a molecular weight of 356.94 g/mol. Its IUPAC name is N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
PubChem CID118728467
Molecular FormulaC22H29ClN2
Molecular Weight356.94 g/mol
Exact Mass356.20
IUPAC NameN,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
SMILESCN(C)C12CNCC(C(c3ccccc3)C1)C(c1ccccc1)C2.Cl
InChIInChI=1S/C22H28N2.ClH/c1-24(2)22-13-19(17-9-5-3-6-10-17)21(15-23-16-22)20(14-22)18-11-7-4-8-12-18;/h3-12,19-21,23H,13-16H2,1-2H3;1H
InChIKeyPZRQTTVXUQBYIK-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride (CID 118728467) is N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride is CN(C)C12CNCC(C(c3ccccc3)C1)C(c1ccccc1)C2.Cl.
What is the InChIKey of N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
The InChIKey is PZRQTTVXUQBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2.ClH/c1-24(2)22-13-19(17-9-5-3-6-10-17)21(15-23-16-22)20(14-22)18-11-7-4-8-12-18;/h3-12,19-21,23H,13-16H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride has a molecular weight of 356.94 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,9-diphenyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride is sourced from PubChem (CID 118728467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).