1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine

C15H17N2+ — CID 122219505

IUPAC1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine
SMILESCC(C)/N=C(\c1ccccc1)[n+]1ccccc1
InChIInChI=1S/C15H17N2/c1-13(2)16-15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3-13H,1-2H3/q+1/b16-15+
InChIKeyNGKNAZKGIWUQOE-FOCLMDBBSA-N
MW225.32 g/mol
LogP2.68
Rot. Bonds2

About 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine

1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine (PubChem CID 122219505) has the molecular formula C15H17N2+ and a molecular weight of 225.32 g/mol. Its IUPAC name is 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine.

Molecular Properties

Compound Name1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine
PubChem CID122219505
Molecular FormulaC15H17N2+
Molecular Weight225.32 g/mol
Exact Mass225.14
IUPAC Name1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine
SMILESCC(C)/N=C(\c1ccccc1)[n+]1ccccc1
InChIInChI=1S/C15H17N2/c1-13(2)16-15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3-13H,1-2H3/q+1/b16-15+
InChIKeyNGKNAZKGIWUQOE-FOCLMDBBSA-N
XLogP2.68
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 102322180
1-(1,2,2-triphenylethenyl)pyridin-1-ium
CID 129243431
5-phenyl-5-propan-2-yliminopentan-2-one
CID 10376064
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone
CID 171375283
benzamide;2,3-dimethylbutane
CID 162214835
2-phenoxy-N'-propan-2-ylethanimidamide
CID 63181817
3-bromo-N'-propan-2-ylbenzenecarboximidamide
CID 62049372
3-[(N'-propan-2-ylcarbamimidoyl)amino]benzamide
CID 107811857
(Z)-3,4-diphenylhex-3-ene-2,5-diol
CID 11346209

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine?
The IUPAC name of 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine (CID 122219505) is 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine.
What is the SMILES notation for 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine?
The canonical SMILES for 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine is CC(C)/N=C(\c1ccccc1)[n+]1ccccc1.
What is the InChIKey of 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine?
The InChIKey is NGKNAZKGIWUQOE-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H17N2/c1-13(2)16-15(14-9-5-3-6-10-14)17-11-7-4-8-12-17/h3-13H,1-2H3/q+1/b16-15+.
What are the key properties of 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine?
1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine has a molecular weight of 225.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine is sourced from PubChem (CID 122219505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).