(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine

C20H27N5O2 — CID 11820887

IUPAC(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine
SMILESCO/N=C/c1ccc(OCCCN2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-17-4-9-20(23-22-17)25-13-11-24(12-14-25)10-3-15-27-19-7-5-18(6-8-19)16-21-26-2/h4-9,16H,3,10-15H2,1-2H3/b21-16+
InChIKeyPICVVJFVRNCCOO-LTGZKZEYSA-N
MW369.47 g/mol
LogP2.36
Rot. Bonds8

About (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine

(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine (PubChem CID 11820887) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine
PubChem CID11820887
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine
SMILESCO/N=C/c1ccc(OCCCN2CCN(c3ccc(C)nn3)CC2)cc1
InChIInChI=1S/C20H27N5O2/c1-17-4-9-20(23-22-17)25-13-11-24(12-14-25)10-3-15-27-19-7-5-18(6-8-19)16-21-26-2/h4-9,16H,3,10-15H2,1-2H3/b21-16+
InChIKeyPICVVJFVRNCCOO-LTGZKZEYSA-N
XLogP2.36
TPSA63.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

ethyl 4-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propoxy]benzoate
CID 14989315
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 5273130
(E)-1-[3-[2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
CID 11820910
2-methyl-3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propan-1-amine
CID 61312903
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 55218602
2-[[4-(4-piperidin-1-ylbutoxy)phenyl]methylideneamino]guanidine
CID 168592438
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
1-[3-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]phenyl]-N-prop-2-enoxymethanimine
CID 87905231
ethane;2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]acetonitrile
CID 145197934
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine?
The IUPAC name of (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine (CID 11820887) is (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine.
What is the SMILES notation for (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine?
The canonical SMILES for (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine is CO/N=C/c1ccc(OCCCN2CCN(c3ccc(C)nn3)CC2)cc1.
What is the InChIKey of (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine?
The InChIKey is PICVVJFVRNCCOO-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-17-4-9-20(23-22-17)25-13-11-24(12-14-25)10-3-15-27-19-7-5-18(6-8-19)16-21-26-2/h4-9,16H,3,10-15H2,1-2H3/b21-16+.
What are the key properties of (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine?
(E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine has a molecular weight of 369.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[4-[3-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]propoxy]phenyl]methanimine is sourced from PubChem (CID 11820887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).