ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine

C17H24N2 — CID 142453532

IUPACethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
SMILESC=Nc1c(/C=C\C)ccc2cccnc12.CC.CC
InChIInChI=1S/C13H12N2.2C2H6/c1-3-5-10-7-8-11-6-4-9-15-13(11)12(10)14-2;2*1-2/h3-9H,2H2,1H3;2*1-2H3/b5-3-;;
InChIKeyLWRDTYCZZXUEPB-ORIPCLHRSA-N
MW256.39 g/mol
LogP5.65
Rot. Bonds2

About ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine

ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine (PubChem CID 142453532) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine.

Molecular Properties

Compound Nameethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
PubChem CID142453532
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Nameethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
SMILESC=Nc1c(/C=C\C)ccc2cccnc12.CC.CC
InChIInChI=1S/C13H12N2.2C2H6/c1-3-5-10-7-8-11-6-4-9-15-13(11)12(10)14-2;2*1-2/h3-9H,2H2,1H3;2*1-2H3/b5-3-;;
InChIKeyLWRDTYCZZXUEPB-ORIPCLHRSA-N
XLogP5.65
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
ethane;8-ethyl-7-[(Z)-prop-1-enyl]quinoline
CID 142062961
ethane;N'-[(2E,5E,6E,8E)-5-[(Z)-3-[8-(methylideneamino)quinolin-7-yl]prop-2-enylidene]-2-(4-phenylphenyl)-7-(4-pyridin-3-ylphenyl)deca-2,6,8-trien-4-yl]-1-phenylmethanediamine
CID 145384110
7-methyl-8-nitrosoquinoline
CID 88866337
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
The IUPAC name of ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine (CID 142453532) is ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine.
What is the SMILES notation for ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
The canonical SMILES for ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine is C=Nc1c(/C=C\C)ccc2cccnc12.CC.CC.
What is the InChIKey of ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
The InChIKey is LWRDTYCZZXUEPB-ORIPCLHRSA-N. The full InChI is InChI=1S/C13H12N2.2C2H6/c1-3-5-10-7-8-11-6-4-9-15-13(11)12(10)14-2;2*1-2/h3-9H,2H2,1H3;2*1-2H3/b5-3-;;.
What are the key properties of ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine?
ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine has a molecular weight of 256.39 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine is sourced from PubChem (CID 142453532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).