4,4-dimethylpent-1-enyl(trimethyl)azanium

C10H22N+ — CID 123920329

IUPAC4,4-dimethylpent-1-enyl(trimethyl)azanium
SMILESCC(C)(C)CC=C[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-10(2,3)8-7-9-11(4,5)6/h7,9H,8H2,1-6H3/q+1
InChIKeyXQYAJPCYLGBCFP-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.64
Rot. Bonds2

About 4,4-dimethylpent-1-enyl(trimethyl)azanium

4,4-dimethylpent-1-enyl(trimethyl)azanium (PubChem CID 123920329) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 4,4-dimethylpent-1-enyl(trimethyl)azanium.

Molecular Properties

Compound Name4,4-dimethylpent-1-enyl(trimethyl)azanium
PubChem CID123920329
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name4,4-dimethylpent-1-enyl(trimethyl)azanium
SMILESCC(C)(C)CC=C[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-10(2,3)8-7-9-11(4,5)6/h7,9H,8H2,1-6H3/q+1
InChIKeyXQYAJPCYLGBCFP-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.64
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-dimethylpent-1-enyl(trimethyl)azanium?
The IUPAC name of 4,4-dimethylpent-1-enyl(trimethyl)azanium (CID 123920329) is 4,4-dimethylpent-1-enyl(trimethyl)azanium.
What is the SMILES notation for 4,4-dimethylpent-1-enyl(trimethyl)azanium?
The canonical SMILES for 4,4-dimethylpent-1-enyl(trimethyl)azanium is CC(C)(C)CC=C[N+](C)(C)C.
What is the InChIKey of 4,4-dimethylpent-1-enyl(trimethyl)azanium?
The InChIKey is XQYAJPCYLGBCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-10(2,3)8-7-9-11(4,5)6/h7,9H,8H2,1-6H3/q+1.
What are the key properties of 4,4-dimethylpent-1-enyl(trimethyl)azanium?
4,4-dimethylpent-1-enyl(trimethyl)azanium has a molecular weight of 156.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpent-1-enyl(trimethyl)azanium is sourced from PubChem (CID 123920329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).