N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine

C15H17N2+ — CID 54093643

IUPACN,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine
SMILESCN(C)C(=Cc1ccccc1)[n+]1ccccc1
InChIInChI=1S/C15H17N2/c1-16(2)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3-13H,1-2H3/q+1
InChIKeyMVOYOAYQQHXZKO-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.49
Rot. Bonds3

About N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine

N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine (PubChem CID 54093643) has the molecular formula C15H17N2+ and a molecular weight of 225.32 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine
PubChem CID54093643
Molecular FormulaC15H17N2+
Molecular Weight225.32 g/mol
Exact Mass225.14
IUPAC NameN,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine
SMILESCN(C)C(=Cc1ccccc1)[n+]1ccccc1
InChIInChI=1S/C15H17N2/c1-16(2)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3-13H,1-2H3/q+1
InChIKeyMVOYOAYQQHXZKO-UHFFFAOYSA-N
XLogP2.49
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.49
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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Related Compounds

N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine chloride
CID 67760286
(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
[(E)-1-(dimethylamino)-2-methyl-3-phenylprop-2-enylidene]chromium
CID 135076058
(E)-N,N,2-trimethyl-3-phenylprop-2-enamide
CID 6372631
N-[(E)-1-bromo-2-phenylethenyl]-N-methylaniline
CID 132574218
(3S)-3-(dimethylamino)-1-phenylbut-1-en-2-ol
CID 155453900
1-(1,3-diphenylpenta-1,4-dien-2-yl)pyridin-1-ium
CID 69405902
(Z)-1-cyclopentyl-N,N-dimethyl-2-phenylethenamine
CID 134993841
(E)-N,N-dimethyl-2-phenyl-1-quinolin-2-ylethenamine
CID 23447040
N,N-dimethylmethanamine;stilbene
CID 174368184
N-methyl-N-phenylpyridin-1-ium-1-carboxamide
CID 11747011
N-[(E)-1-chloro-2-phenylethenyl]-N-methylaniline
CID 132574216

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine?
The IUPAC name of N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine (CID 54093643) is N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine.
What is the SMILES notation for N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine?
The canonical SMILES for N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine is CN(C)C(=Cc1ccccc1)[n+]1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine?
The InChIKey is MVOYOAYQQHXZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N2/c1-16(2)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3-13H,1-2H3/q+1.
What are the key properties of N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine?
N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine has a molecular weight of 225.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-1-pyridin-1-ium-1-ylethenamine is sourced from PubChem (CID 54093643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).