4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine

C18H27NO — CID 623527

IUPAC4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine
SMILESCCC1CCN(C)C2Cc3ccc(OC)cc3C12CC
InChIInChI=1S/C18H27NO/c1-5-14-9-10-19(3)17-11-13-7-8-15(20-4)12-16(13)18(14,17)6-2/h7-8,12,14,17H,5-6,9-11H2,1-4H3
InChIKeyDWFSUOFXNKCHFQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.63
Rot. Bonds3

About 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine

4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine (PubChem CID 623527) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine.

Molecular Properties

Compound Name4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine
PubChem CID623527
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine
SMILESCCC1CCN(C)C2Cc3ccc(OC)cc3C12CC
InChIInChI=1S/C18H27NO/c1-5-14-9-10-19(3)17-11-13-7-8-15(20-4)12-16(13)18(14,17)6-2/h7-8,12,14,17H,5-6,9-11H2,1-4H3
InChIKeyDWFSUOFXNKCHFQ-UHFFFAOYSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine?
The IUPAC name of 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine (CID 623527) is 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine.
What is the SMILES notation for 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine?
The canonical SMILES for 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine is CCC1CCN(C)C2Cc3ccc(OC)cc3C12CC.
What is the InChIKey of 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine?
The InChIKey is DWFSUOFXNKCHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-14-9-10-19(3)17-11-13-7-8-15(20-4)12-16(13)18(14,17)6-2/h7-8,12,14,17H,5-6,9-11H2,1-4H3.
What are the key properties of 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine?
4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine has a molecular weight of 273.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-diethyl-6-methoxy-1-methyl-3,4,9,9a-tetrahydro-2H-indeno[2,1-b]pyridine is sourced from PubChem (CID 623527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).