cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

C13H23NO — CID 65156145

IUPACcyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)C2=CCCC2)C1C
InChIInChI=1S/C13H23NO/c1-8-9(2)15-10(3)12(8)13(14)11-6-4-5-7-11/h6,8-10,12-13H,4-5,7,14H2,1-3H3
InChIKeyAFIAIFVJDUIATG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.48
Rot. Bonds2

About cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine

cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (PubChem CID 65156145) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
PubChem CID65156145
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine
SMILESCC1OC(C)C(C(N)C2=CCCC2)C1C
InChIInChI=1S/C13H23NO/c1-8-9(2)15-10(3)12(8)13(14)11-6-4-5-7-11/h6,8-10,12-13H,4-5,7,14H2,1-3H3
InChIKeyAFIAIFVJDUIATG-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The IUPAC name of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine (CID 65156145) is cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is CC1OC(C)C(C(N)C2=CCCC2)C1C.
What is the InChIKey of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
The InChIKey is AFIAIFVJDUIATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-8-9(2)15-10(3)12(8)13(14)11-6-4-5-7-11/h6,8-10,12-13H,4-5,7,14H2,1-3H3.
What are the key properties of cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine?
cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine has a molecular weight of 209.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,4,5-trimethyloxolan-3-yl)methanamine is sourced from PubChem (CID 65156145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).