ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine

C18H30N2 — CID 145322463

IUPACethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
SMILESCC.CC.CC.[H]/N=C/c1cnc(C=C)c(C=C)c1C=C
InChIInChI=1S/C12H12N2.3C2H6/c1-4-10-9(7-13)8-14-12(6-3)11(10)5-2;3*1-2/h4-8,13H,1-3H2;3*1-2H3/b13-7+;;;
InChIKeyLRXNEJSIGYHCDV-COBFFHJSSA-N
MW274.45 g/mol
LogP6.09
Rot. Bonds4

About ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine

ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine (PubChem CID 145322463) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine.

Molecular Properties

Compound Nameethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
PubChem CID145322463
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Nameethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine
SMILESCC.CC.CC.[H]/N=C/c1cnc(C=C)c(C=C)c1C=C
InChIInChI=1S/C12H12N2.3C2H6/c1-4-10-9(7-13)8-14-12(6-3)11(10)5-2;3*1-2/h4-8,13H,1-3H2;3*1-2H3/b13-7+;;;
InChIKeyLRXNEJSIGYHCDV-COBFFHJSSA-N
XLogP6.09
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[7,8-bis(ethenyl)-4-methanimidoyl-1,10-phenanthrolin-3-yl]methanimine
CID 163973866
ethane;5-methanimidoyl-N-methylpyrimidin-4-amine
CID 142609465
(4-methanimidoylpyrimidin-5-yl)methanimine
CID 163823387
(3-ethenyl-4-methylfuran-2-yl)methanimine
CID 167500331
5-bromo-N-ethyl-2-methanimidoylpyridin-3-amine
CID 145138294
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
2,3-bis(ethenyl)-5-methylpyrazine;ethane
CID 142881444
6-bromo-4-methanimidoyl-5-methylpyridin-3-amine
CID 155134306
(5-methanimidoyl-2-methylpyrimidin-4-yl)-methylazanium
CID 165083909
2,3-bis(ethenyl)-4-methylpyridine;ethane;propane
CID 155736263
5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
CID 167506610
3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
CID 137372990

Frequently Asked Questions

What is the IUPAC name of ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine?
The IUPAC name of ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine (CID 145322463) is ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine.
What is the SMILES notation for ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine?
The canonical SMILES for ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine is CC.CC.CC.[H]/N=C/c1cnc(C=C)c(C=C)c1C=C.
What is the InChIKey of ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine?
The InChIKey is LRXNEJSIGYHCDV-COBFFHJSSA-N. The full InChI is InChI=1S/C12H12N2.3C2H6/c1-4-10-9(7-13)8-14-12(6-3)11(10)5-2;3*1-2/h4-8,13H,1-3H2;3*1-2H3/b13-7+;;;.
What are the key properties of ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine?
ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine has a molecular weight of 274.45 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4,5,6-tris(ethenyl)-3-pyridinyl]methanimine is sourced from PubChem (CID 145322463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).