3-(methyliminomethyl)-5-phenylpyridin-2-amine

C13H13N3 — CID 178058084

IUPAC3-(methyliminomethyl)-5-phenylpyridin-2-amine
SMILESC/N=C/c1cc(-c2ccccc2)cnc1N
InChIInChI=1S/C13H13N3/c1-15-8-12-7-11(9-16-13(12)14)10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,16)/b15-8+
InChIKeyXBTSUMUXKUNXKH-OVCLIPMQSA-N
MW211.27 g/mol
LogP2.38
Rot. Bonds2

About 3-(methyliminomethyl)-5-phenylpyridin-2-amine

3-(methyliminomethyl)-5-phenylpyridin-2-amine (PubChem CID 178058084) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-(methyliminomethyl)-5-phenylpyridin-2-amine.

Molecular Properties

Compound Name3-(methyliminomethyl)-5-phenylpyridin-2-amine
PubChem CID178058084
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3-(methyliminomethyl)-5-phenylpyridin-2-amine
SMILESC/N=C/c1cc(-c2ccccc2)cnc1N
InChIInChI=1S/C13H13N3/c1-15-8-12-7-11(9-16-13(12)14)10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,16)/b15-8+
InChIKeyXBTSUMUXKUNXKH-OVCLIPMQSA-N
XLogP2.38
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methyliminomethyl)-5-phenylpyridin-2-amine?
The IUPAC name of 3-(methyliminomethyl)-5-phenylpyridin-2-amine (CID 178058084) is 3-(methyliminomethyl)-5-phenylpyridin-2-amine.
What is the SMILES notation for 3-(methyliminomethyl)-5-phenylpyridin-2-amine?
The canonical SMILES for 3-(methyliminomethyl)-5-phenylpyridin-2-amine is C/N=C/c1cc(-c2ccccc2)cnc1N.
What is the InChIKey of 3-(methyliminomethyl)-5-phenylpyridin-2-amine?
The InChIKey is XBTSUMUXKUNXKH-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H13N3/c1-15-8-12-7-11(9-16-13(12)14)10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,16)/b15-8+.
What are the key properties of 3-(methyliminomethyl)-5-phenylpyridin-2-amine?
3-(methyliminomethyl)-5-phenylpyridin-2-amine has a molecular weight of 211.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyliminomethyl)-5-phenylpyridin-2-amine is sourced from PubChem (CID 178058084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).