cyclopentylmethyl(trimethyl)azanium iodide

C9H20IN — CID 13436400

IUPACcyclopentylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CC1CCCC1.[I-]
InChIInChI=1S/C9H20N.HI/c1-10(2,3)8-9-6-4-5-7-9;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeySKOAXOGSWDPYNJ-UHFFFAOYSA-M
MW269.17 g/mol
LogP-1.11
Rot. Bonds2

About cyclopentylmethyl(trimethyl)azanium iodide

cyclopentylmethyl(trimethyl)azanium iodide (PubChem CID 13436400) has the molecular formula C9H20IN and a molecular weight of 269.17 g/mol. Its IUPAC name is cyclopentylmethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Namecyclopentylmethyl(trimethyl)azanium iodide
PubChem CID13436400
Molecular FormulaC9H20IN
Molecular Weight269.17 g/mol
Exact Mass269.06
IUPAC Namecyclopentylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)CC1CCCC1.[I-]
InChIInChI=1S/C9H20N.HI/c1-10(2,3)8-9-6-4-5-7-9;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeySKOAXOGSWDPYNJ-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl(trimethyl)azanium iodide?
The IUPAC name of cyclopentylmethyl(trimethyl)azanium iodide (CID 13436400) is cyclopentylmethyl(trimethyl)azanium iodide.
What is the SMILES notation for cyclopentylmethyl(trimethyl)azanium iodide?
The canonical SMILES for cyclopentylmethyl(trimethyl)azanium iodide is C[N+](C)(C)CC1CCCC1.[I-].
What is the InChIKey of cyclopentylmethyl(trimethyl)azanium iodide?
The InChIKey is SKOAXOGSWDPYNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.HI/c1-10(2,3)8-9-6-4-5-7-9;/h9H,4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of cyclopentylmethyl(trimethyl)azanium iodide?
cyclopentylmethyl(trimethyl)azanium iodide has a molecular weight of 269.17 g/mol, XLogP of -1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl(trimethyl)azanium iodide is sourced from PubChem (CID 13436400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).