trimethyl(2-methylbut-3-yn-2-yl)azanium chloride

C8H16ClN — CID 134977523

IUPACtrimethyl(2-methylbut-3-yn-2-yl)azanium chloride
SMILESC#CC(C)(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H16N.ClH/c1-7-8(2,3)9(4,5)6;/h1H,2-6H3;1H/q+1;/p-1
InChIKeySMPPKNRPALPWGH-UHFFFAOYSA-M
MW161.68 g/mol
LogP-1.89
Rot. Bonds1

About trimethyl(2-methylbut-3-yn-2-yl)azanium chloride

trimethyl(2-methylbut-3-yn-2-yl)azanium chloride (PubChem CID 134977523) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is trimethyl(2-methylbut-3-yn-2-yl)azanium chloride.

Molecular Properties

Compound Nametrimethyl(2-methylbut-3-yn-2-yl)azanium chloride
PubChem CID134977523
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Nametrimethyl(2-methylbut-3-yn-2-yl)azanium chloride
SMILESC#CC(C)(C)[N+](C)(C)C.[Cl-]
InChIInChI=1S/C8H16N.ClH/c1-7-8(2,3)9(4,5)6;/h1H,2-6H3;1H/q+1;/p-1
InChIKeySMPPKNRPALPWGH-UHFFFAOYSA-M
XLogP-1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 5-1.89
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 trimethyl(2-methylbut-3-yn-2-yl)azanium chloride?
The IUPAC name of trimethyl(2-methylbut-3-yn-2-yl)azanium chloride (CID 134977523) is trimethyl(2-methylbut-3-yn-2-yl)azanium chloride.
What is the SMILES notation for trimethyl(2-methylbut-3-yn-2-yl)azanium chloride?
The canonical SMILES for trimethyl(2-methylbut-3-yn-2-yl)azanium chloride is C#CC(C)(C)[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(2-methylbut-3-yn-2-yl)azanium chloride?
The InChIKey is SMPPKNRPALPWGH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.ClH/c1-7-8(2,3)9(4,5)6;/h1H,2-6H3;1H/q+1;/p-1.
What are the key properties of trimethyl(2-methylbut-3-yn-2-yl)azanium chloride?
trimethyl(2-methylbut-3-yn-2-yl)azanium chloride has a molecular weight of 161.68 g/mol, XLogP of -1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylbut-3-yn-2-yl)azanium chloride is sourced from PubChem (CID 134977523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).