1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine

C17H20N4 — CID 14907728

IUPAC1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
SMILESC/C(=N\CCC/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/C17H20N4/c1-14(16-8-3-5-10-20-16)18-12-7-13-19-15(2)17-9-4-6-11-21-17/h3-6,8-11H,7,12-13H2,1-2H3/b18-14+,19-15+
InChIKeyOHPOPDDBNKZFNM-JSAVKQRWSA-N
MW280.38 g/mol
LogP3.18
Rot. Bonds6

About 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine

1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine (PubChem CID 14907728) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
PubChem CID14907728
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
SMILESC/C(=N\CCC/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/C17H20N4/c1-14(16-8-3-5-10-20-16)18-12-7-13-19-15(2)17-9-4-6-11-21-17/h3-6,8-11H,7,12-13H2,1-2H3/b18-14+,19-15+
InChIKeyOHPOPDDBNKZFNM-JSAVKQRWSA-N
XLogP3.18
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-pyridin-2-ylethanimine
CID 583773
dichlorovanadium;3-(1-pyridin-2-ylethylideneamino)propan-1-ol
CID 59378654
3-(1-pyridin-2-ylethylideneamino)-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]propan-1-amine
CID 139178723
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
CID 139081439
[(E)-1-pyridin-2-ylethylideneamino]methylthiourea
CID 145130202
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
[2-(1-pyridin-2-ylethylidene)hydrazinyl]methanethiol
CID 173340240
1-pyridin-2-yl-N-[(1R,2R)-2-(1-pyridin-2-ylethylideneamino)cyclohexyl]ethanimine
CID 46193464

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine?
The IUPAC name of 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine (CID 14907728) is 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine.
What is the SMILES notation for 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine?
The canonical SMILES for 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine is C/C(=N\CCC/N=C(\C)c1ccccn1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine?
The InChIKey is OHPOPDDBNKZFNM-JSAVKQRWSA-N. The full InChI is InChI=1S/C17H20N4/c1-14(16-8-3-5-10-20-16)18-12-7-13-19-15(2)17-9-4-6-11-21-17/h3-6,8-11H,7,12-13H2,1-2H3/b18-14+,19-15+.
What are the key properties of 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine?
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine has a molecular weight of 280.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine is sourced from PubChem (CID 14907728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).