trimethyl(4-methylpent-4-en-2-ynyl)azanium

C9H16N+ — CID 13214284

IUPACtrimethyl(4-methylpent-4-en-2-ynyl)azanium
SMILESC=C(C)C#CC[N+](C)(C)C
InChIInChI=1S/C9H16N/c1-9(2)7-6-8-10(3,4)5/h1,8H2,2-5H3/q+1
InChIKeyMFINKNXJYKSILM-UHFFFAOYSA-N
MW138.23 g/mol
LogP1.27
Rot. Bonds1

About trimethyl(4-methylpent-4-en-2-ynyl)azanium

trimethyl(4-methylpent-4-en-2-ynyl)azanium (PubChem CID 13214284) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is trimethyl(4-methylpent-4-en-2-ynyl)azanium.

Molecular Properties

Compound Nametrimethyl(4-methylpent-4-en-2-ynyl)azanium
PubChem CID13214284
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Nametrimethyl(4-methylpent-4-en-2-ynyl)azanium
SMILESC=C(C)C#CC[N+](C)(C)C
InChIInChI=1S/C9H16N/c1-9(2)7-6-8-10(3,4)5/h1,8H2,2-5H3/q+1
InChIKeyMFINKNXJYKSILM-UHFFFAOYSA-N
XLogP1.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 51.27
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 trimethyl(4-methylpent-4-en-2-ynyl)azanium?
The IUPAC name of trimethyl(4-methylpent-4-en-2-ynyl)azanium (CID 13214284) is trimethyl(4-methylpent-4-en-2-ynyl)azanium.
What is the SMILES notation for trimethyl(4-methylpent-4-en-2-ynyl)azanium?
The canonical SMILES for trimethyl(4-methylpent-4-en-2-ynyl)azanium is C=C(C)C#CC[N+](C)(C)C.
What is the InChIKey of trimethyl(4-methylpent-4-en-2-ynyl)azanium?
The InChIKey is MFINKNXJYKSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N/c1-9(2)7-6-8-10(3,4)5/h1,8H2,2-5H3/q+1.
What are the key properties of trimethyl(4-methylpent-4-en-2-ynyl)azanium?
trimethyl(4-methylpent-4-en-2-ynyl)azanium has a molecular weight of 138.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(4-methylpent-4-en-2-ynyl)azanium is sourced from PubChem (CID 13214284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).