1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone

C15H24N2O3 — CID 82950852

IUPAC1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
SMILESCCOCCN(CCOCC)c1cc(C(C)=O)ccn1
InChIInChI=1S/C15H24N2O3/c1-4-19-10-8-17(9-11-20-5-2)15-12-14(13(3)18)6-7-16-15/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyFOHLUEPEZATTIO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.16
Rot. Bonds10

About 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone

1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone (PubChem CID 82950852) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
PubChem CID82950852
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone
SMILESCCOCCN(CCOCC)c1cc(C(C)=O)ccn1
InChIInChI=1S/C15H24N2O3/c1-4-19-10-8-17(9-11-20-5-2)15-12-14(13(3)18)6-7-16-15/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyFOHLUEPEZATTIO-UHFFFAOYSA-N
XLogP2.16
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82951786
1-[4-[bis(2-ethoxyethyl)amino]-3-chlorophenyl]ethanone
CID 82938130
6-[bis(2-ethoxyethyl)amino]pyridazine-3-carboxylic acid
CID 82956314
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-pyridinyl]ethanone
CID 107480460
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
1-[5-[2-ethoxyethyl(ethyl)amino]-2-pyridinyl]ethanone
CID 83119464
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
N,N-bis(2-ethoxyethyl)-6-fluoropyrimidin-4-amine
CID 82960073
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone (CID 82950852) is 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone is CCOCCN(CCOCC)c1cc(C(C)=O)ccn1.
What is the InChIKey of 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone?
The InChIKey is FOHLUEPEZATTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-19-10-8-17(9-11-20-5-2)15-12-14(13(3)18)6-7-16-15/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone?
1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone has a molecular weight of 280.37 g/mol, XLogP of 2.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis(2-ethoxyethyl)amino]-4-pyridinyl]ethanone is sourced from PubChem (CID 82950852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).