3-(ethoxymethyl)cyclopent-2-en-1-amine

C8H15NO — CID 79569255

IUPAC3-(ethoxymethyl)cyclopent-2-en-1-amine
SMILESCCOCC1=CC(N)CC1
InChIInChI=1S/C8H15NO/c1-2-10-6-7-3-4-8(9)5-7/h5,8H,2-4,6,9H2,1H3
InChIKeyKWZSXIYUUWJSJF-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.07
Rot. Bonds3

About 3-(ethoxymethyl)cyclopent-2-en-1-amine

3-(ethoxymethyl)cyclopent-2-en-1-amine (PubChem CID 79569255) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(ethoxymethyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(ethoxymethyl)cyclopent-2-en-1-amine
PubChem CID79569255
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(ethoxymethyl)cyclopent-2-en-1-amine
SMILESCCOCC1=CC(N)CC1
InChIInChI=1S/C8H15NO/c1-2-10-6-7-3-4-8(9)5-7/h5,8H,2-4,6,9H2,1H3
InChIKeyKWZSXIYUUWJSJF-UHFFFAOYSA-N
XLogP1.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.07
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 3-(ethoxymethyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(ethoxymethyl)cyclopent-2-en-1-amine (CID 79569255) is 3-(ethoxymethyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(ethoxymethyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(ethoxymethyl)cyclopent-2-en-1-amine is CCOCC1=CC(N)CC1.
What is the InChIKey of 3-(ethoxymethyl)cyclopent-2-en-1-amine?
The InChIKey is KWZSXIYUUWJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-10-6-7-3-4-8(9)5-7/h5,8H,2-4,6,9H2,1H3.
What are the key properties of 3-(ethoxymethyl)cyclopent-2-en-1-amine?
3-(ethoxymethyl)cyclopent-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 79569255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).