2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

C14H26N4O — CID 104670206

IUPAC2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCCc1nnc(C)cc1CNC(C)CNCCOC
InChIInChI=1S/C14H26N4O/c1-5-14-13(8-11(2)17-18-14)10-16-12(3)9-15-6-7-19-4/h8,12,15-16H,5-7,9-10H2,1-4H3
InChIKeyAQFQPNDQTJOFBG-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.06
Rot. Bonds9

About 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine

2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine (PubChem CID 104670206) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
PubChem CID104670206
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
SMILESCCc1nnc(C)cc1CNC(C)CNCCOC
InChIInChI=1S/C14H26N4O/c1-5-14-13(8-11(2)17-18-14)10-16-12(3)9-15-6-7-19-4/h8,12,15-16H,5-7,9-10H2,1-4H3
InChIKeyAQFQPNDQTJOFBG-UHFFFAOYSA-N
XLogP1.06
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
CID 163382869
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]oxetan-3-amine
CID 163383304
1-methoxy-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]propan-2-amine
CID 167085255
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
CID 104670142
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 105156299
1-(3-ethyl-6-methylpyridazin-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156310
1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156324
N-ethyl-1-(3-ethyl-6-methylpyridazin-4-yl)-4,4,4-trifluorobutan-1-amine
CID 105156365
1-(3-ethyl-6-methylpyridazin-4-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 105156463
1-(3,6-dimethylpyridazin-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 105156484
1-(3,6-dimethylpyridazin-4-yl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105174285
1-(3-ethyl-6-methylpyridazin-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105174295

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine (CID 104670206) is 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine is CCc1nnc(C)cc1CNC(C)CNCCOC.
What is the InChIKey of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
The InChIKey is AQFQPNDQTJOFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-14-13(8-11(2)17-18-14)10-16-12(3)9-15-6-7-19-4/h8,12,15-16H,5-7,9-10H2,1-4H3.
What are the key properties of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine?
2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 1.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine is sourced from PubChem (CID 104670206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).