trimethyl(pent-2-enyl)azanium

C8H18N+ — CID 59817117

IUPACtrimethyl(pent-2-enyl)azanium
SMILESCCC=CC[N+](C)(C)C
InChIInChI=1S/C8H18N/c1-5-6-7-8-9(2,3)4/h6-7H,5,8H2,1-4H3/q+1
InChIKeyDQBLNHTXODQJCM-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.66
Rot. Bonds3

About trimethyl(pent-2-enyl)azanium

trimethyl(pent-2-enyl)azanium (PubChem CID 59817117) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is trimethyl(pent-2-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(pent-2-enyl)azanium
PubChem CID59817117
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nametrimethyl(pent-2-enyl)azanium
SMILESCCC=CC[N+](C)(C)C
InChIInChI=1S/C8H18N/c1-5-6-7-8-9(2,3)4/h6-7H,5,8H2,1-4H3/q+1
InChIKeyDQBLNHTXODQJCM-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(pent-2-enyl)azanium?
The IUPAC name of trimethyl(pent-2-enyl)azanium (CID 59817117) is trimethyl(pent-2-enyl)azanium.
What is the SMILES notation for trimethyl(pent-2-enyl)azanium?
The canonical SMILES for trimethyl(pent-2-enyl)azanium is CCC=CC[N+](C)(C)C.
What is the InChIKey of trimethyl(pent-2-enyl)azanium?
The InChIKey is DQBLNHTXODQJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-5-6-7-8-9(2,3)4/h6-7H,5,8H2,1-4H3/q+1.
What are the key properties of trimethyl(pent-2-enyl)azanium?
trimethyl(pent-2-enyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pent-2-enyl)azanium is sourced from PubChem (CID 59817117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).