6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride

C22H27Cl3N2 — CID 118728471

IUPAC6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
SMILESCN(C)C12CNCC(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2.Cl
InChIInChI=1S/C22H26Cl2N2.ClH/c1-26(2)22-11-19(15-3-7-17(23)8-4-15)21(13-25-14-22)20(12-22)16-5-9-18(24)10-6-16;/h3-10,19-21,25H,11-14H2,1-2H3;1H
InChIKeyQUQOJRSJZIPSNA-UHFFFAOYSA-N
MW425.83 g/mol
LogP5.60
Rot. Bonds3

About 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride

6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride (PubChem CID 118728471) has the molecular formula C22H27Cl3N2 and a molecular weight of 425.83 g/mol. Its IUPAC name is 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride.

Molecular Properties

Compound Name6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
PubChem CID118728471
Molecular FormulaC22H27Cl3N2
Molecular Weight425.83 g/mol
Exact Mass424.12
IUPAC Name6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride
SMILESCN(C)C12CNCC(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2.Cl
InChIInChI=1S/C22H26Cl2N2.ClH/c1-26(2)22-11-19(15-3-7-17(23)8-4-15)21(13-25-14-22)20(12-22)16-5-9-18(24)10-6-16;/h3-10,19-21,25H,11-14H2,1-2H3;1H
InChIKeyQUQOJRSJZIPSNA-UHFFFAOYSA-N
XLogP5.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.83
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
The IUPAC name of 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride (CID 118728471) is 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride.
What is the SMILES notation for 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
The canonical SMILES for 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride is CN(C)C12CNCC(C(c3ccc(Cl)cc3)C1)C(c1ccc(Cl)cc1)C2.Cl.
What is the InChIKey of 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
The InChIKey is QUQOJRSJZIPSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2.ClH/c1-26(2)22-11-19(15-3-7-17(23)8-4-15)21(13-25-14-22)20(12-22)16-5-9-18(24)10-6-16;/h3-10,19-21,25H,11-14H2,1-2H3;1H.
What are the key properties of 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride?
6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride has a molecular weight of 425.83 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-bis(4-chlorophenyl)-N,N-dimethyl-3-azabicyclo[3.2.2]nonan-1-amine;hydrochloride is sourced from PubChem (CID 118728471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).