6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine

C16H20N4O — CID 123349027

IUPAC6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine
SMILESCC(=NOCCCc1cccc(N)n1)c1cccc(C)n1
InChIInChI=1S/C16H20N4O/c1-12-6-3-9-15(18-12)13(2)20-21-11-5-8-14-7-4-10-16(17)19-14/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H2,17,19)
InChIKeyDVYVNUCHWGCQBZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds6

About 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine

6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine (PubChem CID 123349027) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine
PubChem CID123349027
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine
SMILESCC(=NOCCCc1cccc(N)n1)c1cccc(C)n1
InChIInChI=1S/C16H20N4O/c1-12-6-3-9-15(18-12)13(2)20-21-11-5-8-14-7-4-10-16(17)19-14/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H2,17,19)
InChIKeyDVYVNUCHWGCQBZ-UHFFFAOYSA-N
XLogP2.74
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123636438
6-[(E)-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-C-methylcarbonimidoyl]pyridin-2-amine
CID 88584214
2-[6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]-2-pyridinyl]acetaldehyde
CID 87170194
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carbaldehyde
CID 87170147
N-[3-[6-(6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123395455
N-[3-[4-methoxy-6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123248011
N-[3-[6-(4-chloro-6-ethyl-3-methyl-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 123623329
(E)-N-[3-[6-(2-benzylpyrimidin-4-yl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 87765432
(E)-N-[3-(6-bromo-2-pyridinyl)propoxy]-1-(6-methyl-2-pyridinyl)ethanimine;(E)-N-[3-(6-bromo-2-pyridinyl)prop-2-ynoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 172938985
6-[3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridine-2-carboximidamide;(E)-1-(6-methyl-2-pyridinyl)-N-[3-[6-(4-methylpyrimidin-2-yl)-2-pyridinyl]propoxy]ethanimine;hydrochloride
CID 172982856
(E)-N-[3-[6-(6-ethyl-3-methyl-4-propoxy-2-pyridinyl)-2-pyridinyl]propoxy]-1-(6-methyl-2-pyridinyl)ethanimine
CID 87765411
3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropanal;3-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropan-1-ol
CID 172961316

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine?
The IUPAC name of 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine (CID 123349027) is 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine.
What is the SMILES notation for 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine?
The canonical SMILES for 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine is CC(=NOCCCc1cccc(N)n1)c1cccc(C)n1.
What is the InChIKey of 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine?
The InChIKey is DVYVNUCHWGCQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-6-3-9-15(18-12)13(2)20-21-11-5-8-14-7-4-10-16(17)19-14/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H2,17,19).
What are the key properties of 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine?
6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(6-methyl-2-pyridinyl)ethylideneamino]oxypropyl]pyridin-2-amine is sourced from PubChem (CID 123349027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).