methyl-tris(prop-2-enyl)azanium iodide

C10H18IN — CID 14172654

IUPACmethyl-tris(prop-2-enyl)azanium iodide
SMILESC=CC[N+](C)(CC=C)CC=C.[I-]
InChIInChI=1S/C10H18N.HI/c1-5-8-11(4,9-6-2)10-7-3;/h5-7H,1-3,8-10H2,4H3;1H/q+1;/p-1
InChIKeySKUXLEWRNOLTMD-UHFFFAOYSA-M
MW279.17 g/mol
LogP-1.00
Rot. Bonds6

About methyl-tris(prop-2-enyl)azanium iodide

methyl-tris(prop-2-enyl)azanium iodide (PubChem CID 14172654) has the molecular formula C10H18IN and a molecular weight of 279.17 g/mol. Its IUPAC name is methyl-tris(prop-2-enyl)azanium iodide.

Molecular Properties

Compound Namemethyl-tris(prop-2-enyl)azanium iodide
PubChem CID14172654
Molecular FormulaC10H18IN
Molecular Weight279.17 g/mol
Exact Mass279.05
IUPAC Namemethyl-tris(prop-2-enyl)azanium iodide
SMILESC=CC[N+](C)(CC=C)CC=C.[I-]
InChIInChI=1S/C10H18N.HI/c1-5-8-11(4,9-6-2)10-7-3;/h5-7H,1-3,8-10H2,4H3;1H/q+1;/p-1
InChIKeySKUXLEWRNOLTMD-UHFFFAOYSA-M
XLogP-1.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 5-1.00
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'}

Analyze methyl-tris(prop-2-enyl)azanium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl-tris(prop-2-enyl)azanium;chloride;hydrate
CID 139647541
methanesulfonate;methyl-tris(prop-2-enyl)azanium
CID 141431677
methyl-[4-[methyl-bis(prop-2-enyl)azaniumyl]butyl]-bis(prop-2-enyl)azanium dibromide
CID 174242463
trimethyl(prop-2-enyl)azanium;dihydrochloride
CID 174494481
ethyl-methyl-[3-[methyl-bis(prop-2-enyl)azaniumyl]propyl]-prop-2-enylazanium
CID 123622999
dimethyl-bis(prop-2-enyl)azanium;polane;chloride
CID 173045035
dimethyl-bis(prop-2-enyl)azanium;chloride;hydrate
CID 141182046
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
azane;trimethyl(prop-2-enyl)azanium;bromide;hydrobromide
CID 174829617
sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
butyl-dimethyl-prop-2-enylazanium iodide
CID 171383086

Frequently Asked Questions

What is the IUPAC name of methyl-tris(prop-2-enyl)azanium iodide?
The IUPAC name of methyl-tris(prop-2-enyl)azanium iodide (CID 14172654) is methyl-tris(prop-2-enyl)azanium iodide.
What is the SMILES notation for methyl-tris(prop-2-enyl)azanium iodide?
The canonical SMILES for methyl-tris(prop-2-enyl)azanium iodide is C=CC[N+](C)(CC=C)CC=C.[I-].
What is the InChIKey of methyl-tris(prop-2-enyl)azanium iodide?
The InChIKey is SKUXLEWRNOLTMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H18N.HI/c1-5-8-11(4,9-6-2)10-7-3;/h5-7H,1-3,8-10H2,4H3;1H/q+1;/p-1.
What are the key properties of methyl-tris(prop-2-enyl)azanium iodide?
methyl-tris(prop-2-enyl)azanium iodide has a molecular weight of 279.17 g/mol, XLogP of -1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(prop-2-enyl)azanium iodide is sourced from PubChem (CID 14172654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).