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

C32H36N8 — CID 139200368

IUPAC1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine
SMILESC/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.C/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/2C16H18N4/c2*1-13(15-7-3-5-9-19-15)17-11-12-18-14(2)16-8-4-6-10-20-16/h2*3-10H,11-12H2,1-2H3/b2*17-13+,18-14+
InChIKeyVPMIJHXUYIWQQT-UTEWMKNBSA-N
MW532.70 g/mol
LogP5.59
Rot. Bonds10

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

1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine (PubChem CID 139200368) has the molecular formula C32H36N8 and a molecular weight of 532.70 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine
PubChem CID139200368
Molecular FormulaC32H36N8
Molecular Weight532.70 g/mol
Exact Mass532.31
IUPAC Name1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine
SMILESC/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.C/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1
InChIInChI=1S/2C16H18N4/c2*1-13(15-7-3-5-9-19-15)17-11-12-18-14(2)16-8-4-6-10-20-16/h2*3-10H,11-12H2,1-2H3/b2*17-13+,18-14+
InChIKeyVPMIJHXUYIWQQT-UTEWMKNBSA-N
XLogP5.59
TPSA101.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.70
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

2,2'-Bipyridine
CID 1474
N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2,2':6',2''-Terpyridine
CID 70848
Pyridine-2-carbaldehyde (2-pyridylmethylene)hydrazone
CID 6861553
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
2,3-Bis(2-pyridyl)quinoxaline
CID 97023
3,6-Di(2-pyridyl)pyridazine
CID 659563
tetrakis(N-methyl-4-pyridiniumyl)porphine manganese(III) complex
CID 5486195
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
Tris(2-pyridylmethyl)amine
CID 379259
2,2'-Ethylenedipyridine
CID 222708
2,3-Bis(2-pyridyl)pyrazine
CID 719680

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine?
The IUPAC name of 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine (CID 139200368) is 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine.
What is the SMILES notation for 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine?
The canonical SMILES for 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine is C/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.C/C(=N\CC/N=C(\C)c1ccccn1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine?
The InChIKey is VPMIJHXUYIWQQT-UTEWMKNBSA-N. The full InChI is InChI=1S/2C16H18N4/c2*1-13(15-7-3-5-9-19-15)17-11-12-18-14(2)16-8-4-6-10-20-16/h2*3-10H,11-12H2,1-2H3/b2*17-13+,18-14+.
What are the key properties of 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine?
1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine has a molecular weight of 532.70 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[2-(1-pyridin-2-ylethylideneamino)ethyl]ethanimine is sourced from PubChem (CID 139200368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).