1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide

C14H26IN — CID 3031562

IUPAC1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide
SMILESC=CCC1([N+]2(C)CCCC2)CCCCC1.[I-]
InChIInChI=1S/C14H26N.HI/c1-3-9-14(10-5-4-6-11-14)15(2)12-7-8-13-15;/h3H,1,4-13H2,2H3;1H/q+1;/p-1
InChIKeyJDCHRGXPUFFYQT-UHFFFAOYSA-M
MW335.27 g/mol
LogP0.51
Rot. Bonds3

About 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide

1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide (PubChem CID 3031562) has the molecular formula C14H26IN and a molecular weight of 335.27 g/mol. Its IUPAC name is 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide
PubChem CID3031562
Molecular FormulaC14H26IN
Molecular Weight335.27 g/mol
Exact Mass335.11
IUPAC Name1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide
SMILESC=CCC1([N+]2(C)CCCC2)CCCCC1.[I-]
InChIInChI=1S/C14H26N.HI/c1-3-9-14(10-5-4-6-11-14)15(2)12-7-8-13-15;/h3H,1,4-13H2,2H3;1H/q+1;/p-1
InChIKeyJDCHRGXPUFFYQT-UHFFFAOYSA-M
XLogP0.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 50.51
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 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide?
The IUPAC name of 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide (CID 3031562) is 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide.
What is the SMILES notation for 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide?
The canonical SMILES for 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide is C=CCC1([N+]2(C)CCCC2)CCCCC1.[I-].
What is the InChIKey of 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide?
The InChIKey is JDCHRGXPUFFYQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H26N.HI/c1-3-9-14(10-5-4-6-11-14)15(2)12-7-8-13-15;/h3H,1,4-13H2,2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide?
1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide has a molecular weight of 335.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-prop-2-enylcyclohexyl)pyrrolidin-1-ium iodide is sourced from PubChem (CID 3031562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).