trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride

C12H24ClN — CID 134978577

IUPACtrimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride
SMILESCC(C)C(=C=C[N+](C)(C)C)C(C)C.[Cl-]
InChIInChI=1S/C12H24N.ClH/c1-10(2)12(11(3)4)8-9-13(5,6)7;/h9-11H,1-7H3;1H/q+1;/p-1
InChIKeyQXXKLADDZQSSMV-UHFFFAOYSA-M
MW217.78 g/mol
LogP0.05
Rot. Bonds3

About trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride

trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride (PubChem CID 134978577) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride.

Molecular Properties

Compound Nametrimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride
PubChem CID134978577
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Nametrimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride
SMILESCC(C)C(=C=C[N+](C)(C)C)C(C)C.[Cl-]
InChIInChI=1S/C12H24N.ClH/c1-10(2)12(11(3)4)8-9-13(5,6)7;/h9-11H,1-7H3;1H/q+1;/p-1
InChIKeyQXXKLADDZQSSMV-UHFFFAOYSA-M
XLogP0.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 50.05
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 trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride?
The IUPAC name of trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride (CID 134978577) is trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride.
What is the SMILES notation for trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride?
The canonical SMILES for trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride is CC(C)C(=C=C[N+](C)(C)C)C(C)C.[Cl-].
What is the InChIKey of trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride?
The InChIKey is QXXKLADDZQSSMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24N.ClH/c1-10(2)12(11(3)4)8-9-13(5,6)7;/h9-11H,1-7H3;1H/q+1;/p-1.
What are the key properties of trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride?
trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride has a molecular weight of 217.78 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-methyl-3-propan-2-ylpenta-1,2-dienyl)azanium chloride is sourced from PubChem (CID 134978577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).