[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine

C13H23N3O2 — CID 61097023

IUPAC[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCCCOCCOc1nnc(C)c(C)c1CN
InChIInChI=1S/C13H23N3O2/c1-4-5-6-17-7-8-18-13-12(9-14)10(2)11(3)15-16-13/h4-9,14H2,1-3H3
InChIKeySCYDWEZGKHNJMF-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.75
Rot. Bonds8

About [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 61097023) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID61097023
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCCCCOCCOc1nnc(C)c(C)c1CN
InChIInChI=1S/C13H23N3O2/c1-4-5-6-17-7-8-18-13-12(9-14)10(2)11(3)15-16-13/h4-9,14H2,1-3H3
InChIKeySCYDWEZGKHNJMF-UHFFFAOYSA-N
XLogP1.75
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.75
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

(3-hexoxy-5,6-dimethylpyridazin-4-yl)methanamine
CID 61097427
3-(2-butoxyethoxy)-5,6-diethylpyridazine-4-carboxylic acid
CID 80515523
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415
[5,6-diethyl-3-[2-(2-methoxyethoxy)ethoxy]pyridazin-4-yl]methanamine
CID 104559843
[3-(4-butan-2-ylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663591
[3-(4-tert-butylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61096822
[3-(3,5-dimethylphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 61097021
[4-[2-(2-butoxyethoxy)ethoxy]phenyl]methanamine
CID 43254346
2-(2-butoxyethoxy)pyridine-3,5-diamine
CID 19913402
[3-(4-ethyl-2-methoxyphenoxy)-5,6-dimethylpyridazin-4-yl]methanamine
CID 107663637
[3-(3-methoxypropylsulfanyl)-5,6-dimethylpyridazin-4-yl]methanamine
CID 63857401
3-[2-(2-methoxyethoxy)ethoxy]-5,6-dimethylpyridazine-4-carboximidamide
CID 104562347

Frequently Asked Questions

What is the IUPAC name of [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 61097023) is [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine is CCCCOCCOc1nnc(C)c(C)c1CN.
What is the InChIKey of [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is SCYDWEZGKHNJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-6-17-7-8-18-13-12(9-14)10(2)11(3)15-16-13/h4-9,14H2,1-3H3.
What are the key properties of [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-butoxyethoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 61097023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).