dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium

C20H40N2+2 — CID 159297233

IUPACdimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
SMILESCC(C)[N+](C)(C)C(C)C.CC[N+](CC)(CC)c1ccccc1
InChIInChI=1S/C12H20N.C8H20N/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;1-7(2)9(5,6)8(3)4/h7-11H,4-6H2,1-3H3;7-8H,1-6H3/q2*+1
InChIKeyVBDDNVJNFQFFFM-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.93
Rot. Bonds6

About dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium

dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium (PubChem CID 159297233) has the molecular formula C20H40N2+2 and a molecular weight of 308.55 g/mol. Its IUPAC name is dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium.

Molecular Properties

Compound Namedimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
PubChem CID159297233
Molecular FormulaC20H40N2+2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Namedimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium
SMILESCC(C)[N+](C)(C)C(C)C.CC[N+](CC)(CC)c1ccccc1
InChIInChI=1S/C12H20N.C8H20N/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;1-7(2)9(5,6)8(3)4/h7-11H,4-6H2,1-3H3;7-8H,1-6H3/q2*+1
InChIKeyVBDDNVJNFQFFFM-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

triethyl(phenyl)azanium hydroxide
CID 2735149
triethyl(phenyl)azanium;hydroxide;hydrofluoride
CID 139832069
azane;triethyl(phenyl)azanium;hydrate
CID 174742361
phosphane;triethyl(phenyl)azanium;bromide;hydrobromide
CID 174774138
CID 134991224
CID 134991224
oxido(oxo)borane;triethyl(phenyl)azanium
CID 14746837
propanoate;triethyl(phenyl)azanium
CID 146567529
(S)-methyl-phenyl-propan-2-yl-propylazanium
CID 163299662
(S)-methyl-phenyl-propan-2-yl-propylazanium iodide
CID 163299661
diethyl-hexadecyl-phenylazanium bromide
CID 163210930
diethyl-heptadecyl-phenylazanium
CID 163210934
diethyl-icosyl-phenylazanium bromide
CID 163210919

Frequently Asked Questions

What is the IUPAC name of dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium?
The IUPAC name of dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium (CID 159297233) is dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium.
What is the SMILES notation for dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium?
The canonical SMILES for dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium is CC(C)[N+](C)(C)C(C)C.CC[N+](CC)(CC)c1ccccc1.
What is the InChIKey of dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium?
The InChIKey is VBDDNVJNFQFFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.C8H20N/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;1-7(2)9(5,6)8(3)4/h7-11H,4-6H2,1-3H3;7-8H,1-6H3/q2*+1.
What are the key properties of dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium?
dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium has a molecular weight of 308.55 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-di(propan-2-yl)azanium;triethyl(phenyl)azanium is sourced from PubChem (CID 159297233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).