dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide

C11H22IN — CID 134933231

IUPACdimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide
SMILESCC/C=C\C[N+](C)(C)C=C(C)C.[I-]
InChIInChI=1S/C11H22N.HI/c1-6-7-8-9-12(4,5)10-11(2)3;/h7-8,10H,6,9H2,1-5H3;1H/q+1;/p-1/b8-7-;
InChIKeyWLQGOPFVVGOYTJ-CFYXSCKTSA-M
MW295.21 g/mol
LogP-0.04
Rot. Bonds4

About dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide

dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide (PubChem CID 134933231) has the molecular formula C11H22IN and a molecular weight of 295.21 g/mol. Its IUPAC name is dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide.

Molecular Properties

Compound Namedimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide
PubChem CID134933231
Molecular FormulaC11H22IN
Molecular Weight295.21 g/mol
Exact Mass295.08
IUPAC Namedimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide
SMILESCC/C=C\C[N+](C)(C)C=C(C)C.[I-]
InChIInChI=1S/C11H22N.HI/c1-6-7-8-9-12(4,5)10-11(2)3;/h7-8,10H,6,9H2,1-5H3;1H/q+1;/p-1/b8-7-;
InChIKeyWLQGOPFVVGOYTJ-CFYXSCKTSA-M
XLogP-0.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide?
The IUPAC name of dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide (CID 134933231) is dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide.
What is the SMILES notation for dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide?
The canonical SMILES for dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide is CC/C=C\C[N+](C)(C)C=C(C)C.[I-].
What is the InChIKey of dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide?
The InChIKey is WLQGOPFVVGOYTJ-CFYXSCKTSA-M. The full InChI is InChI=1S/C11H22N.HI/c1-6-7-8-9-12(4,5)10-11(2)3;/h7-8,10H,6,9H2,1-5H3;1H/q+1;/p-1/b8-7-;.
What are the key properties of dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide?
dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide has a molecular weight of 295.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylprop-1-enyl)-[(Z)-pent-2-enyl]azanium iodide is sourced from PubChem (CID 134933231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).