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

C42H42N12 — CID 139175264

IUPAC(E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1ccccn1)c1ccccn1.C/C(=N\N=C(/C)c1ccccn1)c1ccccn1.C/C(=N\N=C(/C)c1ccccn1)c1ccccn1
InChIInChI=1S/3C14H14N4/c3*1-11(13-7-3-5-9-15-13)17-18-12(2)14-8-4-6-10-16-14/h3*3-10H,1-2H3/b3*17-11+,18-12+
InChIKeyKHUZDJZIBUWEPE-ADJBANBOSA-N
MW714.88 g/mol
LogP8.13
Rot. Bonds9

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

(E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine (PubChem CID 139175264) has the molecular formula C42H42N12 and a molecular weight of 714.88 g/mol. Its IUPAC name is (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine.

Molecular Properties

Compound Name(E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine
PubChem CID139175264
Molecular FormulaC42H42N12
Molecular Weight714.88 g/mol
Exact Mass714.37
IUPAC Name(E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine
SMILESC/C(=N\N=C(/C)c1ccccn1)c1ccccn1.C/C(=N\N=C(/C)c1ccccn1)c1ccccn1.C/C(=N\N=C(/C)c1ccccn1)c1ccccn1
InChIInChI=1S/3C14H14N4/c3*1-11(13-7-3-5-9-15-13)17-18-12(2)14-8-4-6-10-16-14/h3*3-10H,1-2H3/b3*17-11+,18-12+
InChIKeyKHUZDJZIBUWEPE-ADJBANBOSA-N
XLogP8.13
TPSA151.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.88
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2,2':6',2''-Terpyridine
CID 70848
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
Tris(2-pyridylmethyl)amine
CID 379259
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
1,4-Bis(2-(2-pyridinyl)ethyl)piperazine
CID 97230
Nemertelline
CID 3042423
Tris[2,2'-bipyridine]ruthenium dichloride
CID 84353
N,N-bis(pyridin-2-ylmethyl)-1-[6-[5-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)-2-pyridinyl]-3-pyridinyl]methanamine
CID 155533877
Pyridoclax
CID 92042827
tris(2,2'-bipyridyl)cobalt(III)
CID 161059

Frequently Asked Questions

What is the IUPAC name of (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine?
The IUPAC name of (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine (CID 139175264) is (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine.
What is the SMILES notation for (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine?
The canonical SMILES for (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine is C/C(=N\N=C(/C)c1ccccn1)c1ccccn1.C/C(=N\N=C(/C)c1ccccn1)c1ccccn1.C/C(=N\N=C(/C)c1ccccn1)c1ccccn1.
What is the InChIKey of (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine?
The InChIKey is KHUZDJZIBUWEPE-ADJBANBOSA-N. The full InChI is InChI=1S/3C14H14N4/c3*1-11(13-7-3-5-9-15-13)17-18-12(2)14-8-4-6-10-16-14/h3*3-10H,1-2H3/b3*17-11+,18-12+.
What are the key properties of (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine?
(E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine has a molecular weight of 714.88 g/mol, XLogP of 8.13, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-pyridin-2-yl-N-[(E)-1-pyridin-2-ylethylideneamino]ethanimine is sourced from PubChem (CID 139175264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).