N-(2-phenylethyl)pyridin-1-ium-1-amine

C13H15N2+ — CID 135357594

IUPACN-(2-phenylethyl)pyridin-1-ium-1-amine
SMILESc1ccc(CCN[n+]2ccccc2)cc1
InChIInChI=1S/C13H15N2/c1-3-7-13(8-4-1)9-10-14-15-11-5-2-6-12-15/h1-8,11-12,14H,9-10H2/q+1
InChIKeyUCZHOLBEXGCIEE-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.76
Rot. Bonds4

About N-(2-phenylethyl)pyridin-1-ium-1-amine

N-(2-phenylethyl)pyridin-1-ium-1-amine (PubChem CID 135357594) has the molecular formula C13H15N2+ and a molecular weight of 199.28 g/mol. Its IUPAC name is N-(2-phenylethyl)pyridin-1-ium-1-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)pyridin-1-ium-1-amine
PubChem CID135357594
Molecular FormulaC13H15N2+
Molecular Weight199.28 g/mol
Exact Mass199.12
IUPAC NameN-(2-phenylethyl)pyridin-1-ium-1-amine
SMILESc1ccc(CCN[n+]2ccccc2)cc1
InChIInChI=1S/C13H15N2/c1-3-7-13(8-4-1)9-10-14-15-11-5-2-6-12-15/h1-8,11-12,14H,9-10H2/q+1
InChIKeyUCZHOLBEXGCIEE-UHFFFAOYSA-N
XLogP1.76
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-2-pyridin-1-ium-1-ylacetamide
CID 13133471
N-alumanyl-2-phenylethanamine
CID 173457545
N-chloro-2-phenylethanamine
CID 18184165
benzene;2-phenylethylbenzene
CID 18982764
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
methane;N-(2-phenylethyl)formamide
CID 143644399
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669
lithium;hydride;N-methyl-2-phenylethanamine
CID 174675590
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
N-methyl-2-phenylethanamine;ytterbium(3+);trifluoride
CID 175294830
1-[4-(hydrazinylmethyl)pyridin-1-ium-1-yl]-2-(2-phenylethyl)hydrazine
CID 123362947

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)pyridin-1-ium-1-amine?
The IUPAC name of N-(2-phenylethyl)pyridin-1-ium-1-amine (CID 135357594) is N-(2-phenylethyl)pyridin-1-ium-1-amine.
What is the SMILES notation for N-(2-phenylethyl)pyridin-1-ium-1-amine?
The canonical SMILES for N-(2-phenylethyl)pyridin-1-ium-1-amine is c1ccc(CCN[n+]2ccccc2)cc1.
What is the InChIKey of N-(2-phenylethyl)pyridin-1-ium-1-amine?
The InChIKey is UCZHOLBEXGCIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2/c1-3-7-13(8-4-1)9-10-14-15-11-5-2-6-12-15/h1-8,11-12,14H,9-10H2/q+1.
What are the key properties of N-(2-phenylethyl)pyridin-1-ium-1-amine?
N-(2-phenylethyl)pyridin-1-ium-1-amine has a molecular weight of 199.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)pyridin-1-ium-1-amine is sourced from PubChem (CID 135357594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).