2-cyclopent-2-en-1-ylethanamine

C7H13N — CID 19703421

IUPAC2-cyclopent-2-en-1-ylethanamine
SMILESNCCC1C=CCC1
InChIInChI=1S/C7H13N/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyMBTOTUHFSJWIIZ-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds2

About 2-cyclopent-2-en-1-ylethanamine

2-cyclopent-2-en-1-ylethanamine (PubChem CID 19703421) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-ylethanamine.

Molecular Properties

Compound Name2-cyclopent-2-en-1-ylethanamine
PubChem CID19703421
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-cyclopent-2-en-1-ylethanamine
SMILESNCCC1C=CCC1
InChIInChI=1S/C7H13N/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2
InChIKeyMBTOTUHFSJWIIZ-UHFFFAOYSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-cyclopent-2-en-1-ylethanamine?
The IUPAC name of 2-cyclopent-2-en-1-ylethanamine (CID 19703421) is 2-cyclopent-2-en-1-ylethanamine.
What is the SMILES notation for 2-cyclopent-2-en-1-ylethanamine?
The canonical SMILES for 2-cyclopent-2-en-1-ylethanamine is NCCC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-ylethanamine?
The InChIKey is MBTOTUHFSJWIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2.
What are the key properties of 2-cyclopent-2-en-1-ylethanamine?
2-cyclopent-2-en-1-ylethanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-ylethanamine is sourced from PubChem (CID 19703421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).