N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine

C20H21N2+ — CID 8865270

IUPACN,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
SMILESCN(C)c1cc[n+](Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H21N2/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/q+1
InChIKeyIPMPOJHIUNHPOG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.76
Rot. Bonds4

About N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine

N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine (PubChem CID 8865270) has the molecular formula C20H21N2+ and a molecular weight of 289.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
PubChem CID8865270
Molecular FormulaC20H21N2+
Molecular Weight289.40 g/mol
Exact Mass289.17
IUPAC NameN,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
SMILESCN(C)c1cc[n+](Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C20H21N2/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/q+1
InChIKeyIPMPOJHIUNHPOG-UHFFFAOYSA-N
XLogP3.76
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine?
The IUPAC name of N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine (CID 8865270) is N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine?
The canonical SMILES for N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine is CN(C)c1cc[n+](Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine?
The InChIKey is IPMPOJHIUNHPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2/c1-21(2)20-12-14-22(15-13-20)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/q+1.
What are the key properties of N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine?
N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine has a molecular weight of 289.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine is sourced from PubChem (CID 8865270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).