ethane;bis(pyridine);toluene

C21H30N2 — CID 90934596

IUPACethane;bis(pyridine);toluene
SMILESCC.CC.Cc1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C7H8.2C5H5N.2C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;2*1-2/h2-6H,1H3;2*1-5H;2*1-2H3
InChIKeyQVCQQBOUPMSSIY-UHFFFAOYSA-N
MW310.49 g/mol
LogP6.21
Rot. Bonds

About ethane;bis(pyridine);toluene

ethane;bis(pyridine);toluene (PubChem CID 90934596) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is ethane;bis(pyridine);toluene.

Molecular Properties

Compound Nameethane;bis(pyridine);toluene
PubChem CID90934596
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Nameethane;bis(pyridine);toluene
SMILESCC.CC.Cc1ccccc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C7H8.2C5H5N.2C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;2*1-2/h2-6H,1H3;2*1-5H;2*1-2H3
InChIKeyQVCQQBOUPMSSIY-UHFFFAOYSA-N
XLogP6.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Paraquat dichloride
CID 15938
Triprolidine
CID 5282443
Anabasine
CID 205586
3-Methylpyridine
CID 7970
(+-)-Dimethindene
CID 21855
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
Pheniramine
CID 4761
Zimelidine
CID 5365247
(+-)-Anabasine
CID 2181
Paraquat
CID 15939

Frequently Asked Questions

What is the IUPAC name of ethane;bis(pyridine);toluene?
The IUPAC name of ethane;bis(pyridine);toluene (CID 90934596) is ethane;bis(pyridine);toluene.
What is the SMILES notation for ethane;bis(pyridine);toluene?
The canonical SMILES for ethane;bis(pyridine);toluene is CC.CC.Cc1ccccc1.c1ccncc1.c1ccncc1.
What is the InChIKey of ethane;bis(pyridine);toluene?
The InChIKey is QVCQQBOUPMSSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C5H5N.2C2H6/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;2*1-2/h2-6H,1H3;2*1-5H;2*1-2H3.
What are the key properties of ethane;bis(pyridine);toluene?
ethane;bis(pyridine);toluene has a molecular weight of 310.49 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(pyridine);toluene is sourced from PubChem (CID 90934596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).