(E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine

C19H24N4O2 — CID 25265131

IUPAC(E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine
SMILESC/C(=N\OCCCO/N=C(\C)c1ccc(C)cn1)c1ccc(C)cn1
InChIInChI=1S/C19H24N4O2/c1-14-6-8-18(20-12-14)16(3)22-24-10-5-11-25-23-17(4)19-9-7-15(2)13-21-19/h6-9,12-13H,5,10-11H2,1-4H3/b22-16+,23-17+
InChIKeySDDMAMAZHVJOCI-LKNRODPVSA-N
MW340.43 g/mol
LogP3.66
Rot. Bonds8

About (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine

(E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine (PubChem CID 25265131) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine
PubChem CID25265131
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine
SMILESC/C(=N\OCCCO/N=C(\C)c1ccc(C)cn1)c1ccc(C)cn1
InChIInChI=1S/C19H24N4O2/c1-14-6-8-18(20-12-14)16(3)22-24-10-5-11-25-23-17(4)19-9-7-15(2)13-21-19/h6-9,12-13H,5,10-11H2,1-4H3/b22-16+,23-17+
InChIKeySDDMAMAZHVJOCI-LKNRODPVSA-N
XLogP3.66
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(5-methyl-2-pyridinyl)ethanimine
CID 123351090
N-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
N'-amino-5-methylpyridine-2-carboximidamide
CID 81312548
3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropanal;3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropan-1-ol
CID 172961316
2-(3-ethoxybuta-1,3-dien-2-yl)-5-methylpyridine
CID 166966032
(4-methylphenyl)methyl N-[(Z)-1-(5-methyl-2-pyridinyl)ethylideneamino]carbamodithioate
CID 139087935
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
CID 87170147
2-[6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]-2-pyridinyl]acetaldehyde
CID 87170194
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 177235271
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine?
The IUPAC name of (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine (CID 25265131) is (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine.
What is the SMILES notation for (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine?
The canonical SMILES for (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine is C/C(=N\OCCCO/N=C(\C)c1ccc(C)cn1)c1ccc(C)cn1.
What is the InChIKey of (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine?
The InChIKey is SDDMAMAZHVJOCI-LKNRODPVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-8-18(20-12-14)16(3)22-24-10-5-11-25-23-17(4)19-9-7-15(2)13-21-19/h6-9,12-13H,5,10-11H2,1-4H3/b22-16+,23-17+.
What are the key properties of (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine?
(E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine has a molecular weight of 340.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-methyl-2-pyridinyl)-N-[3-[(E)-1-(5-methyl-2-pyridinyl)ethylideneamino]oxypropoxy]ethanimine is sourced from PubChem (CID 25265131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).