2-(2-ethylcyclobut-2-en-1-yl)ethanamine

C8H15N — CID 123785656

IUPAC2-(2-ethylcyclobut-2-en-1-yl)ethanamine
SMILESCCC1=CCC1CCN
InChIInChI=1S/C8H15N/c1-2-7-3-4-8(7)5-6-9/h3,8H,2,4-6,9H2,1H3
InChIKeySBNVCSMHSRHTQX-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-ethylcyclobut-2-en-1-yl)ethanamine

2-(2-ethylcyclobut-2-en-1-yl)ethanamine (PubChem CID 123785656) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-(2-ethylcyclobut-2-en-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-ethylcyclobut-2-en-1-yl)ethanamine
PubChem CID123785656
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-(2-ethylcyclobut-2-en-1-yl)ethanamine
SMILESCCC1=CCC1CCN
InChIInChI=1S/C8H15N/c1-2-7-3-4-8(7)5-6-9/h3,8H,2,4-6,9H2,1H3
InChIKeySBNVCSMHSRHTQX-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
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-(2-ethylcyclobut-2-en-1-yl)ethanamine?
The IUPAC name of 2-(2-ethylcyclobut-2-en-1-yl)ethanamine (CID 123785656) is 2-(2-ethylcyclobut-2-en-1-yl)ethanamine.
What is the SMILES notation for 2-(2-ethylcyclobut-2-en-1-yl)ethanamine?
The canonical SMILES for 2-(2-ethylcyclobut-2-en-1-yl)ethanamine is CCC1=CCC1CCN.
What is the InChIKey of 2-(2-ethylcyclobut-2-en-1-yl)ethanamine?
The InChIKey is SBNVCSMHSRHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-2-7-3-4-8(7)5-6-9/h3,8H,2,4-6,9H2,1H3.
What are the key properties of 2-(2-ethylcyclobut-2-en-1-yl)ethanamine?
2-(2-ethylcyclobut-2-en-1-yl)ethanamine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclobut-2-en-1-yl)ethanamine is sourced from PubChem (CID 123785656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).