3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

C14H26N2O2 — CID 122154339

IUPAC3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCCOCCN(C)C1CC2CCCCC2NC1=O
InChIInChI=1S/C14H26N2O2/c1-3-18-9-8-16(2)13-10-11-6-4-5-7-12(11)15-14(13)17/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyVGHCFYOCGDRQJB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds5

About 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (PubChem CID 122154339) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
PubChem CID122154339
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
SMILESCCOCCN(C)C1CC2CCCCC2NC1=O
InChIInChI=1S/C14H26N2O2/c1-3-18-9-8-16(2)13-10-11-6-4-5-7-12(11)15-14(13)17/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyVGHCFYOCGDRQJB-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one (CID 122154339) is 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is CCOCCN(C)C1CC2CCCCC2NC1=O.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
The InChIKey is VGHCFYOCGDRQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-18-9-8-16(2)13-10-11-6-4-5-7-12(11)15-14(13)17/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one?
3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one is sourced from PubChem (CID 122154339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).