bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane

C34H76N4+4 — CID 167695265

IUPACbis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane
SMILESC.C.C.C.CC[NH+](C)CC.CC[NH+](C)CC.CC[NH+](CC)c1ccccc1.CC[NH+](CC)c1ccccc1
InChIInChI=1S/2C10H15N.2C5H13N.4CH4/c2*1-3-11(4-2)10-8-6-5-7-9-10;2*1-4-6(3)5-2;;;;/h2*5-9H,3-4H2,1-2H3;2*4-5H2,1-3H3;4*1H4/p+4
InChIKeyXOCVMEMDCOGWOD-UHFFFAOYSA-R
MW541.01 g/mol
LogP4.11
Rot. Bonds10

About bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane

bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane (PubChem CID 167695265) has the molecular formula C34H76N4+4 and a molecular weight of 541.01 g/mol. Its IUPAC name is bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane.

Molecular Properties

Compound Namebis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane
PubChem CID167695265
Molecular FormulaC34H76N4+4
Molecular Weight541.01 g/mol
Exact Mass540.60
IUPAC Namebis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane
SMILESC.C.C.C.CC[NH+](C)CC.CC[NH+](C)CC.CC[NH+](CC)c1ccccc1.CC[NH+](CC)c1ccccc1
InChIInChI=1S/2C10H15N.2C5H13N.4CH4/c2*1-3-11(4-2)10-8-6-5-7-9-10;2*1-4-6(3)5-2;;;;/h2*5-9H,3-4H2,1-2H3;2*4-5H2,1-3H3;4*1H4/p+4
InChIKeyXOCVMEMDCOGWOD-UHFFFAOYSA-R
XLogP4.11
TPSA17.76 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.01
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Related Compounds

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ethyl-phenyl-[4-(2,2,2-trifluoroethylazaniumyl)butyl]azanium
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octadecyl(diphenyl)azanium
CID 102343449
ethyl-methyl-(13-phenyltridecyl)azanium chloride
CID 158524301
ethyl-[3-[ethyl(methyl)amino]phenyl]-methylazanium
CID 164942161
tetraphenylboranuide;triethylazanium
CID 11080326
ethyl(triphenyl)silane
CID 5219688
methylsilyl(diphenyl)azanium
CID 173021835
ethane;methane;propane;toluene;1,4-xylene
CID 167564675

Frequently Asked Questions

What is the IUPAC name of bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane?
The IUPAC name of bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane (CID 167695265) is bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane.
What is the SMILES notation for bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane?
The canonical SMILES for bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane is C.C.C.C.CC[NH+](C)CC.CC[NH+](C)CC.CC[NH+](CC)c1ccccc1.CC[NH+](CC)c1ccccc1.
What is the InChIKey of bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane?
The InChIKey is XOCVMEMDCOGWOD-UHFFFAOYSA-R. The full InChI is InChI=1S/2C10H15N.2C5H13N.4CH4/c2*1-3-11(4-2)10-8-6-5-7-9-10;2*1-4-6(3)5-2;;;;/h2*5-9H,3-4H2,1-2H3;2*4-5H2,1-3H3;4*1H4/p+4.
What are the key properties of bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane?
bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane has a molecular weight of 541.01 g/mol, XLogP of 4.11, 10 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethyl(methyl)azanium);bis(diethyl(phenyl)azanium);methane is sourced from PubChem (CID 167695265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).