2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine

C14H25N — CID 71192890

IUPAC2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine
SMILESCCC1=CCC1CCNCCC1CCC1
InChIInChI=1S/C14H25N/c1-2-13-6-7-14(13)9-11-15-10-8-12-4-3-5-12/h6,12,14-15H,2-5,7-11H2,1H3
InChIKeyMCTZRWYABQITTP-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.51
Rot. Bonds7

About 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine

2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine (PubChem CID 71192890) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine
PubChem CID71192890
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine
SMILESCCC1=CCC1CCNCCC1CCC1
InChIInChI=1S/C14H25N/c1-2-13-6-7-14(13)9-11-15-10-8-12-4-3-5-12/h6,12,14-15H,2-5,7-11H2,1H3
InChIKeyMCTZRWYABQITTP-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine (CID 71192890) is 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine is CCC1=CCC1CCNCCC1CCC1.
What is the InChIKey of 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine?
The InChIKey is MCTZRWYABQITTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-13-6-7-14(13)9-11-15-10-8-12-4-3-5-12/h6,12,14-15H,2-5,7-11H2,1H3.
What are the key properties of 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine?
2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine has a molecular weight of 207.36 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[2-(2-ethylcyclobut-2-en-1-yl)ethyl]ethanamine is sourced from PubChem (CID 71192890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).