ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole

C16H36N2 — CID 144531531

IUPACethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole
SMILESC=C1N(C)C(C)=C(C)N1C.CC.CCC.CCC
InChIInChI=1S/C8H14N2.2C3H8.C2H6/c1-6-7(2)10(5)8(3)9(6)4;2*1-3-2;1-2/h3H2,1-2,4-5H3;2*3H2,1-2H3;1-2H3
InChIKeyYNGPMJNYLHUZHN-UHFFFAOYSA-N
MW256.48 g/mol
LogP5.45
Rot. Bonds

About ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole

ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole (PubChem CID 144531531) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole.

Molecular Properties

Compound Nameethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole
PubChem CID144531531
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Nameethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole
SMILESC=C1N(C)C(C)=C(C)N1C.CC.CCC.CCC
InChIInChI=1S/C8H14N2.2C3H8.C2H6/c1-6-7(2)10(5)8(3)9(6)4;2*1-3-2;1-2/h3H2,1-2,4-5H3;2*3H2,1-2H3;1-2H3
InChIKeyYNGPMJNYLHUZHN-UHFFFAOYSA-N
XLogP5.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.48
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole?
The IUPAC name of ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole (CID 144531531) is ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole.
What is the SMILES notation for ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole?
The canonical SMILES for ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole is C=C1N(C)C(C)=C(C)N1C.CC.CCC.CCC.
What is the InChIKey of ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole?
The InChIKey is YNGPMJNYLHUZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C3H8.C2H6/c1-6-7(2)10(5)8(3)9(6)4;2*1-3-2;1-2/h3H2,1-2,4-5H3;2*3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole?
ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole has a molecular weight of 256.48 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;1,3,4,5-tetramethyl-2-methylideneimidazole is sourced from PubChem (CID 144531531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).