dimethyl-prop-1-enyl-prop-2-enylazanium

C8H16N+ — CID 87532729

IUPACdimethyl-prop-1-enyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C=CC
InChIInChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6,8H,1,7H2,2-4H3/q+1
InChIKeyBYAUQFWQTOEUAB-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.78
Rot. Bonds3

About dimethyl-prop-1-enyl-prop-2-enylazanium

dimethyl-prop-1-enyl-prop-2-enylazanium (PubChem CID 87532729) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is dimethyl-prop-1-enyl-prop-2-enylazanium.

Molecular Properties

Compound Namedimethyl-prop-1-enyl-prop-2-enylazanium
PubChem CID87532729
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namedimethyl-prop-1-enyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)C=CC
InChIInChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6,8H,1,7H2,2-4H3/q+1
InChIKeyBYAUQFWQTOEUAB-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.78
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 dimethyl-prop-1-enyl-prop-2-enylazanium?
The IUPAC name of dimethyl-prop-1-enyl-prop-2-enylazanium (CID 87532729) is dimethyl-prop-1-enyl-prop-2-enylazanium.
What is the SMILES notation for dimethyl-prop-1-enyl-prop-2-enylazanium?
The canonical SMILES for dimethyl-prop-1-enyl-prop-2-enylazanium is C=CC[N+](C)(C)C=CC.
What is the InChIKey of dimethyl-prop-1-enyl-prop-2-enylazanium?
The InChIKey is BYAUQFWQTOEUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-5-7-9(3,4)8-6-2/h5-6,8H,1,7H2,2-4H3/q+1.
What are the key properties of dimethyl-prop-1-enyl-prop-2-enylazanium?
dimethyl-prop-1-enyl-prop-2-enylazanium has a molecular weight of 126.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-1-enyl-prop-2-enylazanium is sourced from PubChem (CID 87532729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).