1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine

C15H25N3O — CID 105156648

IUPAC1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCc1nnc(C)cc1C(N)CCCC1CCCO1
InChIInChI=1S/C15H25N3O/c1-3-15-13(10-11(2)17-18-15)14(16)8-4-6-12-7-5-9-19-12/h10,12,14H,3-9,16H2,1-2H3
InChIKeyGNZSFPCSGWPVSQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds6

About 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine

1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 105156648) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID105156648
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine
SMILESCCc1nnc(C)cc1C(N)CCCC1CCCO1
InChIInChI=1S/C15H25N3O/c1-3-15-13(10-11(2)17-18-15)14(16)8-4-6-12-7-5-9-19-12/h10,12,14H,3-9,16H2,1-2H3
InChIKeyGNZSFPCSGWPVSQ-UHFFFAOYSA-N
XLogP2.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-amine
CID 105156525
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(2-methylsulfanylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993443
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(3,6-dimethylpyridazin-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156981
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine (CID 105156648) is 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine is CCc1nnc(C)cc1C(N)CCCC1CCCO1.
What is the InChIKey of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is GNZSFPCSGWPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-15-13(10-11(2)17-18-15)14(16)8-4-6-12-7-5-9-19-12/h10,12,14H,3-9,16H2,1-2H3.
What are the key properties of 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine?
1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-6-methylpyridazin-4-yl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 105156648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).