dodecyl-dimethyl-prop-2-ynylazanium iodide

C17H34IN — CID 10762256

IUPACdodecyl-dimethyl-prop-2-ynylazanium iodide
SMILESC#CC[N+](C)(C)CCCCCCCCCCCC.[I-]
InChIInChI=1S/C17H34N.HI/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h2H,5,7-17H2,1,3-4H3;1H/q+1;/p-1
InChIKeyYBXQTWIBCWTQQI-UHFFFAOYSA-M
MW379.37 g/mol
LogP1.62
Rot. Bonds12

About dodecyl-dimethyl-prop-2-ynylazanium iodide

dodecyl-dimethyl-prop-2-ynylazanium iodide (PubChem CID 10762256) has the molecular formula C17H34IN and a molecular weight of 379.37 g/mol. Its IUPAC name is dodecyl-dimethyl-prop-2-ynylazanium iodide.

Molecular Properties

Compound Namedodecyl-dimethyl-prop-2-ynylazanium iodide
PubChem CID10762256
Molecular FormulaC17H34IN
Molecular Weight379.37 g/mol
Exact Mass379.17
IUPAC Namedodecyl-dimethyl-prop-2-ynylazanium iodide
SMILESC#CC[N+](C)(C)CCCCCCCCCCCC.[I-]
InChIInChI=1S/C17H34N.HI/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h2H,5,7-17H2,1,3-4H3;1H/q+1;/p-1
InChIKeyYBXQTWIBCWTQQI-UHFFFAOYSA-M
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-prop-2-ynylazanium iodide?
The IUPAC name of dodecyl-dimethyl-prop-2-ynylazanium iodide (CID 10762256) is dodecyl-dimethyl-prop-2-ynylazanium iodide.
What is the SMILES notation for dodecyl-dimethyl-prop-2-ynylazanium iodide?
The canonical SMILES for dodecyl-dimethyl-prop-2-ynylazanium iodide is C#CC[N+](C)(C)CCCCCCCCCCCC.[I-].
What is the InChIKey of dodecyl-dimethyl-prop-2-ynylazanium iodide?
The InChIKey is YBXQTWIBCWTQQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H34N.HI/c1-5-7-8-9-10-11-12-13-14-15-17-18(3,4)16-6-2;/h2H,5,7-17H2,1,3-4H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-prop-2-ynylazanium iodide?
dodecyl-dimethyl-prop-2-ynylazanium iodide has a molecular weight of 379.37 g/mol, XLogP of 1.62, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-prop-2-ynylazanium iodide is sourced from PubChem (CID 10762256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).