diethyl-methyl-propylazanium

C8H20N+ — CID 4167058

IUPACdiethyl-methyl-propylazanium
SMILESCCC[N+](C)(CC)CC
InChIInChI=1S/C8H20N/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3/q+1
InChIKeyKSRKBDUROZKZBR-UHFFFAOYSA-N
MW130.25 g/mol
LogP1.88
Rot. Bonds4

About diethyl-methyl-propylazanium

diethyl-methyl-propylazanium (PubChem CID 4167058) has the molecular formula C8H20N+ and a molecular weight of 130.25 g/mol. Its IUPAC name is diethyl-methyl-propylazanium.

Molecular Properties

Compound Namediethyl-methyl-propylazanium
PubChem CID4167058
Molecular FormulaC8H20N+
Molecular Weight130.25 g/mol
Exact Mass130.16
IUPAC Namediethyl-methyl-propylazanium
SMILESCCC[N+](C)(CC)CC
InChIInChI=1S/C8H20N/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3/q+1
InChIKeyKSRKBDUROZKZBR-UHFFFAOYSA-N
XLogP1.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.25
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-propylazanium?
The IUPAC name of diethyl-methyl-propylazanium (CID 4167058) is diethyl-methyl-propylazanium.
What is the SMILES notation for diethyl-methyl-propylazanium?
The canonical SMILES for diethyl-methyl-propylazanium is CCC[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-propylazanium?
The InChIKey is KSRKBDUROZKZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N/c1-5-8-9(4,6-2)7-3/h5-8H2,1-4H3/q+1.
What are the key properties of diethyl-methyl-propylazanium?
diethyl-methyl-propylazanium has a molecular weight of 130.25 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-propylazanium is sourced from PubChem (CID 4167058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).