3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen

C17H40N2O — CID 154677982

IUPAC3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen
SMILESCC.CC.CCC1NNC=C(CCC(C)OC)C1CC.[H][H]
InChIInChI=1S/C13H26N2O.2C2H6.H2/c1-5-12-11(8-7-10(3)16-4)9-14-15-13(12)6-2;2*1-2;/h9-10,12-15H,5-8H2,1-4H3;2*1-2H3;1H
InChIKeyBVGOFQAISGLAEY-UHFFFAOYSA-N
MW288.52 g/mol
LogP4.90
Rot. Bonds6

About 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen

3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen (PubChem CID 154677982) has the molecular formula C17H40N2O and a molecular weight of 288.52 g/mol. Its IUPAC name is 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen
PubChem CID154677982
Molecular FormulaC17H40N2O
Molecular Weight288.52 g/mol
Exact Mass288.31
IUPAC Name3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen
SMILESCC.CC.CCC1NNC=C(CCC(C)OC)C1CC.[H][H]
InChIInChI=1S/C13H26N2O.2C2H6.H2/c1-5-12-11(8-7-10(3)16-4)9-14-15-13(12)6-2;2*1-2;/h9-10,12-15H,5-8H2,1-4H3;2*1-2H3;1H
InChIKeyBVGOFQAISGLAEY-UHFFFAOYSA-N
XLogP4.90
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine;molecular hydrogen
CID 154677969
Ethane;7-ethoxy-4-ethyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine;molecular hydrogen
CID 154677974
3-[4-butyl-4-(ethoxymethyl)cyclohexyl]-4-ethyl-2,3-dihydro-1H-pyrazole
CID 155161016
[4-Methyl-1-(oxan-4-yl)pent-4-enyl]hydrazine
CID 105229640
[3-Methylidene-1-(oxan-4-yl)pentyl]hydrazine
CID 105229751
(3-Methoxy-2,7-dimethyloct-7-en-4-yl)hydrazine
CID 105272057
(3-Methoxy-2-methyl-6-methylideneoctan-4-yl)hydrazine
CID 105272212
(1-Cyclohexyl-1-methoxy-5-methylhex-5-en-2-yl)hydrazine
CID 105278634
(1-Cyclohexyl-1-methoxy-4-methylpent-4-en-2-yl)hydrazine
CID 105278735
(1-Cyclohexyl-1-methoxy-4-methylidenehexan-2-yl)hydrazine
CID 105278739
(1-Cyclohexyl-1-ethoxy-5-methylhex-5-en-2-yl)hydrazine
CID 105278850
(1-Cyclohexyl-1-ethoxy-4-methylpent-4-en-2-yl)hydrazine
CID 105278935

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen?
The IUPAC name of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen (CID 154677982) is 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen.
What is the SMILES notation for 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen?
The canonical SMILES for 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen is CC.CC.CCC1NNC=C(CCC(C)OC)C1CC.[H][H].
What is the InChIKey of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen?
The InChIKey is BVGOFQAISGLAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.2C2H6.H2/c1-5-12-11(8-7-10(3)16-4)9-14-15-13(12)6-2;2*1-2;/h9-10,12-15H,5-8H2,1-4H3;2*1-2H3;1H.
What are the key properties of 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen?
3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen has a molecular weight of 288.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-5-(3-methoxybutyl)-1,2,3,4-tetrahydropyridazine;ethane;molecular hydrogen is sourced from PubChem (CID 154677982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).