cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium

C13H22N2+2 — CID 4743846

IUPACcyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium
SMILESC[NH+](CCc1cccc[nH+]1)C1CCCC1
InChIInChI=1S/C13H20N2/c1-15(13-7-2-3-8-13)11-9-12-6-4-5-10-14-12/h4-6,10,13H,2-3,7-9,11H2,1H3/p+2
InChIKeyZPNYWVWDXAQDOF-UHFFFAOYSA-P
MW206.33 g/mol
LogP0.50
Rot. Bonds4

About cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium

cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium (PubChem CID 4743846) has the molecular formula C13H22N2+2 and a molecular weight of 206.33 g/mol. Its IUPAC name is cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium.

Molecular Properties

Compound Namecyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium
PubChem CID4743846
Molecular FormulaC13H22N2+2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Namecyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium
SMILESC[NH+](CCc1cccc[nH+]1)C1CCCC1
InChIInChI=1S/C13H20N2/c1-15(13-7-2-3-8-13)11-9-12-6-4-5-10-14-12/h4-6,10,13H,2-3,7-9,11H2,1H3/p+2
InChIKeyZPNYWVWDXAQDOF-UHFFFAOYSA-P
XLogP0.50
TPSA18.58 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium?
The IUPAC name of cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium (CID 4743846) is cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium.
What is the SMILES notation for cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium?
The canonical SMILES for cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium is C[NH+](CCc1cccc[nH+]1)C1CCCC1.
What is the InChIKey of cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium?
The InChIKey is ZPNYWVWDXAQDOF-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H20N2/c1-15(13-7-2-3-8-13)11-9-12-6-4-5-10-14-12/h4-6,10,13H,2-3,7-9,11H2,1H3/p+2.
What are the key properties of cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium?
cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium has a molecular weight of 206.33 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-methyl-(2-pyridin-1-ium-2-ylethyl)azanium is sourced from PubChem (CID 4743846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).