1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine

C14H26N2O — CID 154677970

IUPAC1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine
SMILESCCC1NNC(C)=C2CCC(OC)CCCC21
InChIInChI=1S/C14H26N2O/c1-4-14-13-7-5-6-11(17-3)8-9-12(13)10(2)15-16-14/h11,13-16H,4-9H2,1-3H3
InChIKeyFDTJTZIMYZFGHC-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.74
Rot. Bonds2

About 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine

1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine (PubChem CID 154677970) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine.

Molecular Properties

Compound Name1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine
PubChem CID154677970
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine
SMILESCCC1NNC(C)=C2CCC(OC)CCCC21
InChIInChI=1S/C14H26N2O/c1-4-14-13-7-5-6-11(17-3)8-9-12(13)10(2)15-16-14/h11,13-16H,4-9H2,1-3H3
InChIKeyFDTJTZIMYZFGHC-UHFFFAOYSA-N
XLogP2.74
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine?
The IUPAC name of 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine (CID 154677970) is 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine.
What is the SMILES notation for 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine?
The canonical SMILES for 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine is CCC1NNC(C)=C2CCC(OC)CCCC21.
What is the InChIKey of 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine?
The InChIKey is FDTJTZIMYZFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-14-13-7-5-6-11(17-3)8-9-12(13)10(2)15-16-14/h11,13-16H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine?
1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine has a molecular weight of 238.37 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methoxy-4-methyl-1,2,3,5,6,7,8,9,10,10a-decahydrocycloocta[d]pyridazine is sourced from PubChem (CID 154677970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).