ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine

C15H17N2- — CID 91466095

IUPACethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
SMILESCC.[c-]1ccccc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H11N2.C2H6/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13;1-2/h1-6,8-10H,11H2;1-2H3/q-1;/b14-10+;
InChIKeySBBXVQFNJCXTEY-KMZJGFRYSA-N
MW225.31 g/mol
LogP3.53
Rot. Bonds3

About ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine

ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine (PubChem CID 91466095) has the molecular formula C15H17N2- and a molecular weight of 225.31 g/mol. Its IUPAC name is ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine.

Molecular Properties

Compound Nameethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
PubChem CID91466095
Molecular FormulaC15H17N2-
Molecular Weight225.31 g/mol
Exact Mass225.14
IUPAC Nameethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine
SMILESCC.[c-]1ccccc1/C=N/Cc1ccccn1
InChIInChI=1S/C13H11N2.C2H6/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13;1-2/h1-6,8-10H,11H2;1-2H3/q-1;/b14-10+;
InChIKeySBBXVQFNJCXTEY-KMZJGFRYSA-N
XLogP3.53
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-bis(pyridin-2-ylmethyliminomethyl)benzene-1,4-diol
CID 136832873
N-(phenylmethyl)-1-pyridin-2-ylmethanimine
CID 123856060
benzene-1,2-diol;oxovanadium;2-(pyridin-2-ylmethyliminomethyl)phenol
CID 171438202
nickel;bis(4-(pyridin-2-ylmethyliminomethyl)benzene-1,3-diol)
CID 3688663
iridium(3+);tris(2-(phenylmethyl)pyridine)
CID 58843926
2-methyl-3-(pyridin-2-ylmethylimino)butane-2-thiol
CID 101136521
5-(hydroxymethyl)-2-methyl-4-(pyridin-2-ylmethyliminomethyl)pyridin-3-ol
CID 135828521
2,4-ditert-butyl-6-(pyridin-2-ylmethyliminomethyl)aniline
CID 89061491
ethane;pyridin-2-ylmethanamine
CID 90791011
ethane;2-ethylpyridine
CID 91102000
dizinc;chloroform;bis(2-chloro-6-(pyridin-2-ylmethyliminomethyl)phenolate);diacetate
CID 139061695
ethane;2-ethylpyridine;methane
CID 142439308

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine?
The IUPAC name of ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine (CID 91466095) is ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine.
What is the SMILES notation for ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine?
The canonical SMILES for ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine is CC.[c-]1ccccc1/C=N/Cc1ccccn1.
What is the InChIKey of ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine?
The InChIKey is SBBXVQFNJCXTEY-KMZJGFRYSA-N. The full InChI is InChI=1S/C13H11N2.C2H6/c1-2-6-12(7-3-1)10-14-11-13-8-4-5-9-15-13;1-2/h1-6,8-10H,11H2;1-2H3/q-1;/b14-10+;.
What are the key properties of ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine?
ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine has a molecular weight of 225.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-N-(pyridin-2-ylmethyl)methanimine is sourced from PubChem (CID 91466095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).