4,4-dimethylpentyl-ethenyl-dimethylazanium

C11H24N+ — CID 58520419

IUPAC4,4-dimethylpentyl-ethenyl-dimethylazanium
SMILESC=C[N+](C)(C)CCCC(C)(C)C
InChIInChI=1S/C11H24N/c1-7-12(5,6)10-8-9-11(2,3)4/h7H,1,8-10H2,2-6H3/q+1
InChIKeyLITVIOWERUHTSW-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.03
Rot. Bonds4

About 4,4-dimethylpentyl-ethenyl-dimethylazanium

4,4-dimethylpentyl-ethenyl-dimethylazanium (PubChem CID 58520419) has the molecular formula C11H24N+ and a molecular weight of 170.32 g/mol. Its IUPAC name is 4,4-dimethylpentyl-ethenyl-dimethylazanium.

Molecular Properties

Compound Name4,4-dimethylpentyl-ethenyl-dimethylazanium
PubChem CID58520419
Molecular FormulaC11H24N+
Molecular Weight170.32 g/mol
Exact Mass170.19
IUPAC Name4,4-dimethylpentyl-ethenyl-dimethylazanium
SMILESC=C[N+](C)(C)CCCC(C)(C)C
InChIInChI=1S/C11H24N/c1-7-12(5,6)10-8-9-11(2,3)4/h7H,1,8-10H2,2-6H3/q+1
InChIKeyLITVIOWERUHTSW-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.03
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 4,4-dimethylpentyl-ethenyl-dimethylazanium?
The IUPAC name of 4,4-dimethylpentyl-ethenyl-dimethylazanium (CID 58520419) is 4,4-dimethylpentyl-ethenyl-dimethylazanium.
What is the SMILES notation for 4,4-dimethylpentyl-ethenyl-dimethylazanium?
The canonical SMILES for 4,4-dimethylpentyl-ethenyl-dimethylazanium is C=C[N+](C)(C)CCCC(C)(C)C.
What is the InChIKey of 4,4-dimethylpentyl-ethenyl-dimethylazanium?
The InChIKey is LITVIOWERUHTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N/c1-7-12(5,6)10-8-9-11(2,3)4/h7H,1,8-10H2,2-6H3/q+1.
What are the key properties of 4,4-dimethylpentyl-ethenyl-dimethylazanium?
4,4-dimethylpentyl-ethenyl-dimethylazanium has a molecular weight of 170.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpentyl-ethenyl-dimethylazanium is sourced from PubChem (CID 58520419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).