1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine

C13H13N3 — CID 110839910

IUPAC1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
SMILESC(=NNCc1ccccc1)c1cccnc1
InChIInChI=1S/C13H13N3/c1-2-5-12(6-3-1)10-15-16-11-13-7-4-8-14-9-13/h1-9,11,15H,10H2
InChIKeyOWVDGOARWGKAKZ-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.21
Rot. Bonds4

About 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine

1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine (PubChem CID 110839910) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
PubChem CID110839910
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
SMILESC(=NNCc1ccccc1)c1cccnc1
InChIInChI=1S/C13H13N3/c1-2-5-12(6-3-1)10-15-16-11-13-7-4-8-14-9-13/h1-9,11,15H,10H2
InChIKeyOWVDGOARWGKAKZ-UHFFFAOYSA-N
XLogP2.21
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839836
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
CID 2350724
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776657
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
1-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]methanamine
CID 110839665
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine?
The IUPAC name of 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine (CID 110839910) is 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine.
What is the SMILES notation for 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine?
The canonical SMILES for 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine is C(=NNCc1ccccc1)c1cccnc1.
What is the InChIKey of 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine?
The InChIKey is OWVDGOARWGKAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-5-12(6-3-1)10-15-16-11-13-7-4-8-14-9-13/h1-9,11,15H,10H2.
What are the key properties of 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine?
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine has a molecular weight of 211.27 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine is sourced from PubChem (CID 110839910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).