butyl-dimethyl-prop-2-enylazanium iodide

C9H20IN — CID 171383086

IUPACbutyl-dimethyl-prop-2-enylazanium iodide
SMILESC=CC[N+](C)(C)CCCC.[I-]
InChIInChI=1S/C9H20N.HI/c1-5-7-9-10(3,4)8-6-2;/h6H,2,5,7-9H2,1,3-4H3;1H/q+1;/p-1
InChIKeyNDLZEZOSNWVQRE-UHFFFAOYSA-M
MW269.17 g/mol
LogP-0.95
Rot. Bonds5

About butyl-dimethyl-prop-2-enylazanium iodide

butyl-dimethyl-prop-2-enylazanium iodide (PubChem CID 171383086) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is butyl-dimethyl-prop-2-enylazanium iodide.

Molecular Properties

Compound Namebutyl-dimethyl-prop-2-enylazanium iodide
PubChem CID171383086
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Namebutyl-dimethyl-prop-2-enylazanium iodide
SMILESC=CC[N+](C)(C)CCCC.[I-]
InChIInChI=1S/C9H20N.HI/c1-5-7-9-10(3,4)8-6-2;/h6H,2,5,7-9H2,1,3-4H3;1H/q+1;/p-1
InChIKeyNDLZEZOSNWVQRE-UHFFFAOYSA-M
XLogP-0.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-0.95
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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Related Compounds

hexyl-dimethyl-prop-2-enylazanium
CID 123825197
azane;decyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 174658869
tributyl(prop-2-enyl)azanium chloride
CID 3024222
bis[2-[dimethyl(tetradecyl)azaniumyl]ethyl]-methyl-prop-2-enylazanium
CID 118721052
dimethyl-prop-2-enyl-[3-(tetradecanoylamino)propyl]azanium
CID 22770245
3-[bis(2-carboxyethyl)phosphanyl]propanoic acid;hexadecyl-dimethyl-prop-2-enylazanium;chloride;hydrochloride
CID 175005609
dimethyl-(6-oxohexyl)-prop-2-enylazanium
CID 169160145
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901
dibutyl-octadecyl-prop-2-enylazanium
CID 87194444
butyl-dodecyl-dimethylazanium iodide
CID 10524862
henicos-2-enyl-dimethyl-prop-2-enylazanium
CID 141448717
3-(tert-butylamino)propyl-dimethyl-prop-2-enylazanium
CID 156500541

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-prop-2-enylazanium iodide?
The IUPAC name of butyl-dimethyl-prop-2-enylazanium iodide (CID 171383086) is butyl-dimethyl-prop-2-enylazanium iodide.
What is the SMILES notation for butyl-dimethyl-prop-2-enylazanium iodide?
The canonical SMILES for butyl-dimethyl-prop-2-enylazanium iodide is C=CC[N+](C)(C)CCCC.[I-].
What is the InChIKey of butyl-dimethyl-prop-2-enylazanium iodide?
The InChIKey is NDLZEZOSNWVQRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.HI/c1-5-7-9-10(3,4)8-6-2;/h6H,2,5,7-9H2,1,3-4H3;1H/q+1;/p-1.
What are the key properties of butyl-dimethyl-prop-2-enylazanium iodide?
butyl-dimethyl-prop-2-enylazanium iodide has a molecular weight of 269.17 g/mol, XLogP of -0.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-prop-2-enylazanium iodide is sourced from PubChem (CID 171383086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).