2,4-dimethylpent-4-enyl(trimethyl)azanium

C10H22N+ — CID 89044834

IUPAC2,4-dimethylpent-4-enyl(trimethyl)azanium
SMILESC=C(C)CC(C)C[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-9(2)7-10(3)8-11(4,5)6/h10H,1,7-8H2,2-6H3/q+1
InChIKeyKSAUNXPSXSYEAO-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.29
Rot. Bonds4

About 2,4-dimethylpent-4-enyl(trimethyl)azanium

2,4-dimethylpent-4-enyl(trimethyl)azanium (PubChem CID 89044834) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is 2,4-dimethylpent-4-enyl(trimethyl)azanium.

Molecular Properties

Compound Name2,4-dimethylpent-4-enyl(trimethyl)azanium
PubChem CID89044834
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Name2,4-dimethylpent-4-enyl(trimethyl)azanium
SMILESC=C(C)CC(C)C[N+](C)(C)C
InChIInChI=1S/C10H22N/c1-9(2)7-10(3)8-11(4,5)6/h10H,1,7-8H2,2-6H3/q+1
InChIKeyKSAUNXPSXSYEAO-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpent-4-enyl(trimethyl)azanium?
The IUPAC name of 2,4-dimethylpent-4-enyl(trimethyl)azanium (CID 89044834) is 2,4-dimethylpent-4-enyl(trimethyl)azanium.
What is the SMILES notation for 2,4-dimethylpent-4-enyl(trimethyl)azanium?
The canonical SMILES for 2,4-dimethylpent-4-enyl(trimethyl)azanium is C=C(C)CC(C)C[N+](C)(C)C.
What is the InChIKey of 2,4-dimethylpent-4-enyl(trimethyl)azanium?
The InChIKey is KSAUNXPSXSYEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-9(2)7-10(3)8-11(4,5)6/h10H,1,7-8H2,2-6H3/q+1.
What are the key properties of 2,4-dimethylpent-4-enyl(trimethyl)azanium?
2,4-dimethylpent-4-enyl(trimethyl)azanium has a molecular weight of 156.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpent-4-enyl(trimethyl)azanium is sourced from PubChem (CID 89044834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).