ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine

C17H34N2O — CID 145259417

IUPACethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine
SMILESCC.CC/N=C(\C)C1=C(C)CCC=N1.CCOC(C)C
InChIInChI=1S/C10H16N2.C5H12O.C2H6/c1-4-11-9(3)10-8(2)6-5-7-12-10;1-4-6-5(2)3;1-2/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;1-2H3/b11-9+;;
InChIKeyLMOIMIHLPKZRMV-OTBYXNOXSA-N
MW282.47 g/mol
LogP5.06
Rot. Bonds4

About ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine

ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine (PubChem CID 145259417) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine.

Molecular Properties

Compound Nameethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine
PubChem CID145259417
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Nameethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine
SMILESCC.CC/N=C(\C)C1=C(C)CCC=N1.CCOC(C)C
InChIInChI=1S/C10H16N2.C5H12O.C2H6/c1-4-11-9(3)10-8(2)6-5-7-12-10;1-4-6-5(2)3;1-2/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;1-2H3/b11-9+;;
InChIKeyLMOIMIHLPKZRMV-OTBYXNOXSA-N
XLogP5.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine?
The IUPAC name of ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine (CID 145259417) is ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine.
What is the SMILES notation for ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine?
The canonical SMILES for ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine is CC.CC/N=C(\C)C1=C(C)CCC=N1.CCOC(C)C.
What is the InChIKey of ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine?
The InChIKey is LMOIMIHLPKZRMV-OTBYXNOXSA-N. The full InChI is InChI=1S/C10H16N2.C5H12O.C2H6/c1-4-11-9(3)10-8(2)6-5-7-12-10;1-4-6-5(2)3;1-2/h7H,4-6H2,1-3H3;5H,4H2,1-3H3;1-2H3/b11-9+;;.
What are the key properties of ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine?
ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine has a molecular weight of 282.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxypropane;N-ethyl-1-(5-methyl-3,4-dihydropyridin-6-yl)ethanimine is sourced from PubChem (CID 145259417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).