methyl-(2-methylbutyl)-dipropylazanium

C12H28N+ — CID 139247008

IUPACmethyl-(2-methylbutyl)-dipropylazanium
SMILESCCC[N+](C)(CCC)CC(C)CC
InChIInChI=1S/C12H28N/c1-6-9-13(5,10-7-2)11-12(4)8-3/h12H,6-11H2,1-5H3/q+1
InChIKeyQPGNMSLHFDNWCP-UHFFFAOYSA-N
MW186.36 g/mol
LogP3.30
Rot. Bonds7

About methyl-(2-methylbutyl)-dipropylazanium

methyl-(2-methylbutyl)-dipropylazanium (PubChem CID 139247008) has the molecular formula C12H28N+ and a molecular weight of 186.36 g/mol. Its IUPAC name is methyl-(2-methylbutyl)-dipropylazanium.

Molecular Properties

Compound Namemethyl-(2-methylbutyl)-dipropylazanium
PubChem CID139247008
Molecular FormulaC12H28N+
Molecular Weight186.36 g/mol
Exact Mass186.22
IUPAC Namemethyl-(2-methylbutyl)-dipropylazanium
SMILESCCC[N+](C)(CCC)CC(C)CC
InChIInChI=1S/C12H28N/c1-6-9-13(5,10-7-2)11-12(4)8-3/h12H,6-11H2,1-5H3/q+1
InChIKeyQPGNMSLHFDNWCP-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.36
LogP ≤ 53.30
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

chromium;tris(2-hydroxy-2-oxoacetate);manganese(2+);methyl-[(2S)-2-methylbutyl]-dipropylazanium
CID 139247014
butyl-dimethyl-(2-methylbutyl)azanium
CID 88981039
trimethyl(2-methylbutyl)azanium chloride
CID 159075449
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
dimethyl-(2-methylbutyl)-(2-methylheptyl)azanium
CID 123829284
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
methyl-(2-methylpropyl)-dioctadecylazanium
CID 167409496
3-methylheptane;triethyl(methyl)azanium
CID 155339140
dihexyl-methyl-(6-methyloctyl)azanium chloride
CID 175281709
ethane;3-methylpentane
CID 91147782
methane;3-methylpentane
CID 157218592
3-methylpentane;propane
CID 123266773

Frequently Asked Questions

What is the IUPAC name of methyl-(2-methylbutyl)-dipropylazanium?
The IUPAC name of methyl-(2-methylbutyl)-dipropylazanium (CID 139247008) is methyl-(2-methylbutyl)-dipropylazanium.
What is the SMILES notation for methyl-(2-methylbutyl)-dipropylazanium?
The canonical SMILES for methyl-(2-methylbutyl)-dipropylazanium is CCC[N+](C)(CCC)CC(C)CC.
What is the InChIKey of methyl-(2-methylbutyl)-dipropylazanium?
The InChIKey is QPGNMSLHFDNWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N/c1-6-9-13(5,10-7-2)11-12(4)8-3/h12H,6-11H2,1-5H3/q+1.
What are the key properties of methyl-(2-methylbutyl)-dipropylazanium?
methyl-(2-methylbutyl)-dipropylazanium has a molecular weight of 186.36 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-methylbutyl)-dipropylazanium is sourced from PubChem (CID 139247008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).