diethyl-methyl-pent-2-ynylazanium

C10H20N+ — CID 59019143

IUPACdiethyl-methyl-pent-2-ynylazanium
SMILESCCC#CC[N+](C)(CC)CC
InChIInChI=1S/C10H20N/c1-5-8-9-10-11(4,6-2)7-3/h5-7,10H2,1-4H3/q+1
InChIKeyAWVROMIZARITEB-UHFFFAOYSA-N
MW154.28 g/mol
LogP1.89
Rot. Bonds3

About diethyl-methyl-pent-2-ynylazanium

diethyl-methyl-pent-2-ynylazanium (PubChem CID 59019143) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is diethyl-methyl-pent-2-ynylazanium.

Molecular Properties

Compound Namediethyl-methyl-pent-2-ynylazanium
PubChem CID59019143
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Namediethyl-methyl-pent-2-ynylazanium
SMILESCCC#CC[N+](C)(CC)CC
InChIInChI=1S/C10H20N/c1-5-8-9-10-11(4,6-2)7-3/h5-7,10H2,1-4H3/q+1
InChIKeyAWVROMIZARITEB-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-pent-2-ynylazanium?
The IUPAC name of diethyl-methyl-pent-2-ynylazanium (CID 59019143) is diethyl-methyl-pent-2-ynylazanium.
What is the SMILES notation for diethyl-methyl-pent-2-ynylazanium?
The canonical SMILES for diethyl-methyl-pent-2-ynylazanium is CCC#CC[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-pent-2-ynylazanium?
The InChIKey is AWVROMIZARITEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-5-8-9-10-11(4,6-2)7-3/h5-7,10H2,1-4H3/q+1.
What are the key properties of diethyl-methyl-pent-2-ynylazanium?
diethyl-methyl-pent-2-ynylazanium has a molecular weight of 154.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-pent-2-ynylazanium is sourced from PubChem (CID 59019143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).