N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine

C14H24N4O — CID 116973452

IUPACN,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
SMILESCNCCCN(C)c1ccc(C2CCOCC2)nn1
InChIInChI=1S/C14H24N4O/c1-15-8-3-9-18(2)14-5-4-13(16-17-14)12-6-10-19-11-7-12/h4-5,12,15H,3,6-11H2,1-2H3
InChIKeyHWORPZZXYPKJPI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.42
Rot. Bonds6

About N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine

N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine (PubChem CID 116973452) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
PubChem CID116973452
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine
SMILESCNCCCN(C)c1ccc(C2CCOCC2)nn1
InChIInChI=1S/C14H24N4O/c1-15-8-3-9-18(2)14-5-4-13(16-17-14)12-6-10-19-11-7-12/h4-5,12,15H,3,6-11H2,1-2H3
InChIKeyHWORPZZXYPKJPI-UHFFFAOYSA-N
XLogP1.42
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
CID 116973650
N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973312
2-[(6-cyclobutylpyridazin-3-yl)-methylamino]ethanol
CID 116973655
4-[(6-cyclopentylpyridazin-3-yl)-methylamino]butanoic acid
CID 116973746
N'-[6-(4-bromophenyl)pyridazin-3-yl]-N,N'-dimethylpropane-1,3-diamine
CID 116973442
3-[[6-(oxan-4-yl)pyridazin-3-yl]amino]propan-1-ol
CID 116971340
2-[[6-(oxan-4-yl)pyridazin-3-yl]amino]ethanol
CID 116971289
N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
CID 113044823
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443
N,N'-dimethyl-N'-(6-thiophen-2-ylpyridazin-3-yl)propane-1,3-diamine
CID 116973440
N'-(6-cyclopentylpyridazin-3-yl)-N-methylpropane-1,3-diamine
CID 116970742
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
CID 113015387

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine?
The IUPAC name of N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine (CID 116973452) is N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine is CNCCCN(C)c1ccc(C2CCOCC2)nn1.
What is the InChIKey of N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine?
The InChIKey is HWORPZZXYPKJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-15-8-3-9-18(2)14-5-4-13(16-17-14)12-6-10-19-11-7-12/h4-5,12,15H,3,6-11H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine?
N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine has a molecular weight of 264.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[6-(oxan-4-yl)pyridazin-3-yl]propane-1,3-diamine is sourced from PubChem (CID 116973452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).