diethylaminomethyl(methyl)azanium

C6H17N2+ — CID 20646131

IUPACdiethylaminomethyl(methyl)azanium
SMILESCCN(CC)C[NH2+]C
InChIInChI=1S/C6H16N2/c1-4-8(5-2)6-7-3/h7H,4-6H2,1-3H3/p+1
InChIKeyBLQLXBPJEFHRCO-UHFFFAOYSA-O
MW117.22 g/mol
LogP-0.52
Rot. Bonds4

About diethylaminomethyl(methyl)azanium

diethylaminomethyl(methyl)azanium (PubChem CID 20646131) has the molecular formula C6H17N2+ and a molecular weight of 117.22 g/mol. Its IUPAC name is diethylaminomethyl(methyl)azanium.

Molecular Properties

Compound Namediethylaminomethyl(methyl)azanium
PubChem CID20646131
Molecular FormulaC6H17N2+
Molecular Weight117.22 g/mol
Exact Mass117.14
IUPAC Namediethylaminomethyl(methyl)azanium
SMILESCCN(CC)C[NH2+]C
InChIInChI=1S/C6H16N2/c1-4-8(5-2)6-7-3/h7H,4-6H2,1-3H3/p+1
InChIKeyBLQLXBPJEFHRCO-UHFFFAOYSA-O
XLogP-0.52
TPSA19.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethylaminomethyl(methyl)azanium?
The IUPAC name of diethylaminomethyl(methyl)azanium (CID 20646131) is diethylaminomethyl(methyl)azanium.
What is the SMILES notation for diethylaminomethyl(methyl)azanium?
The canonical SMILES for diethylaminomethyl(methyl)azanium is CCN(CC)C[NH2+]C.
What is the InChIKey of diethylaminomethyl(methyl)azanium?
The InChIKey is BLQLXBPJEFHRCO-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H16N2/c1-4-8(5-2)6-7-3/h7H,4-6H2,1-3H3/p+1.
What are the key properties of diethylaminomethyl(methyl)azanium?
diethylaminomethyl(methyl)azanium has a molecular weight of 117.22 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethylaminomethyl(methyl)azanium is sourced from PubChem (CID 20646131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).