N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine

C16H19N3 — CID 24834593

IUPACN,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine
SMILESCN(C)CCc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C16H19N3/c1-19(2)11-9-15-7-3-4-8-16(15)18-13-14-6-5-10-17-12-14/h3-8,10,12-13H,9,11H2,1-2H3/b18-13+
InChIKeyVGFSZTCWDYSWQF-QGOAFFKASA-N
MW253.35 g/mol
LogP2.94
Rot. Bonds5

About N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine

N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine (PubChem CID 24834593) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine
PubChem CID24834593
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine
SMILESCN(C)CCc1ccccc1/N=C/c1cccnc1
InChIInChI=1S/C16H19N3/c1-19(2)11-9-15-7-3-4-8-16(15)18-13-14-6-5-10-17-12-14/h3-8,10,12-13H,9,11H2,1-2H3/b18-13+
InChIKeyVGFSZTCWDYSWQF-QGOAFFKASA-N
XLogP2.94
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine (CID 24834593) is N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine is CN(C)CCc1ccccc1/N=C/c1cccnc1.
What is the InChIKey of N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine?
The InChIKey is VGFSZTCWDYSWQF-QGOAFFKASA-N. The full InChI is InChI=1S/C16H19N3/c1-19(2)11-9-15-7-3-4-8-16(15)18-13-14-6-5-10-17-12-14/h3-8,10,12-13H,9,11H2,1-2H3/b18-13+.
What are the key properties of N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine?
N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(pyridin-3-ylmethylideneamino)phenyl]ethanamine is sourced from PubChem (CID 24834593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).