diethyl-methanidyl-methylazanium

C6H15N — CID 123448649

IUPACdiethyl-methanidyl-methylazanium
SMILES[CH2-][N+](C)(CC)CC
InChIInChI=1S/C6H15N/c1-5-7(3,4)6-2/h3,5-6H2,1-2,4H3
InChIKeyHBDJHUAXLHQQES-UHFFFAOYSA-N
MW101.19 g/mol
LogP1.26
Rot. Bonds2

About diethyl-methanidyl-methylazanium

diethyl-methanidyl-methylazanium (PubChem CID 123448649) has the molecular formula C6H15N and a molecular weight of 101.19 g/mol. Its IUPAC name is diethyl-methanidyl-methylazanium.

Molecular Properties

Compound Namediethyl-methanidyl-methylazanium
PubChem CID123448649
Molecular FormulaC6H15N
Molecular Weight101.19 g/mol
Exact Mass101.12
IUPAC Namediethyl-methanidyl-methylazanium
SMILES[CH2-][N+](C)(CC)CC
InChIInChI=1S/C6H15N/c1-5-7(3,4)6-2/h3,5-6H2,1-2,4H3
InChIKeyHBDJHUAXLHQQES-UHFFFAOYSA-N
XLogP1.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.19
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159681930
CID 159681930
ethyl(trimethyl)azanium;dihydrate
CID 174491612
methanidyl-dimethyl-propylazanium
CID 157375220
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
ethyl-hydroxy-methyl-phosphanylazanium
CID 174821484
butane;tetramethylazanium;bromide
CID 23496254
tetraethylazanium hydroxide
CID 6509
iron(2+);tetraethylazanium
CID 159930273
hydron;triethyl(methyl)azanium;tetrafluoroborate
CID 87302670

Frequently Asked Questions

What is the IUPAC name of diethyl-methanidyl-methylazanium?
The IUPAC name of diethyl-methanidyl-methylazanium (CID 123448649) is diethyl-methanidyl-methylazanium.
What is the SMILES notation for diethyl-methanidyl-methylazanium?
The canonical SMILES for diethyl-methanidyl-methylazanium is [CH2-][N+](C)(CC)CC.
What is the InChIKey of diethyl-methanidyl-methylazanium?
The InChIKey is HBDJHUAXLHQQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N/c1-5-7(3,4)6-2/h3,5-6H2,1-2,4H3.
What are the key properties of diethyl-methanidyl-methylazanium?
diethyl-methanidyl-methylazanium has a molecular weight of 101.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methanidyl-methylazanium is sourced from PubChem (CID 123448649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).