dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide

C9H18IN — CID 134932254

IUPACdimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide
SMILESC=CC[N+](C)(C)C=C(C)C.[I-]
InChIInChI=1S/C9H18N.HI/c1-6-7-10(4,5)8-9(2)3;/h6,8H,1,7H2,2-5H3;1H/q+1;/p-1
InChIKeyFSDMGHKTDVYSEJ-UHFFFAOYSA-M
MW267.15 g/mol
LogP-0.82
Rot. Bonds3

About dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide

dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide (PubChem CID 134932254) has the molecular formula C9H18IN and a molecular weight of 267.15 g/mol. Its IUPAC name is dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide.

Molecular Properties

Compound Namedimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide
PubChem CID134932254
Molecular FormulaC9H18IN
Molecular Weight267.15 g/mol
Exact Mass267.05
IUPAC Namedimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide
SMILESC=CC[N+](C)(C)C=C(C)C.[I-]
InChIInChI=1S/C9H18N.HI/c1-6-7-10(4,5)8-9(2)3;/h6,8H,1,7H2,2-5H3;1H/q+1;/p-1
InChIKeyFSDMGHKTDVYSEJ-UHFFFAOYSA-M
XLogP-0.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 5-0.82
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)-prop-2-enylazanium iodide?
The IUPAC name of dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide (CID 134932254) is dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide.
What is the SMILES notation for dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide?
The canonical SMILES for dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide is C=CC[N+](C)(C)C=C(C)C.[I-].
What is the InChIKey of dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide?
The InChIKey is FSDMGHKTDVYSEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N.HI/c1-6-7-10(4,5)8-9(2)3;/h6,8H,1,7H2,2-5H3;1H/q+1;/p-1.
What are the key properties of dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide?
dimethyl-(2-methylprop-1-enyl)-prop-2-enylazanium iodide has a molecular weight of 267.15 g/mol, XLogP of -0.82, 3 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)-prop-2-enylazanium iodide is sourced from PubChem (CID 134932254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).