4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine

C14H25NO — CID 58111118

IUPAC4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine
SMILESCC(C)(C)C1C=CC(CN2CCOCC2)C1
InChIInChI=1S/C14H25NO/c1-14(2,3)13-5-4-12(10-13)11-15-6-8-16-9-7-15/h4-5,12-13H,6-11H2,1-3H3
InChIKeyHZXUGOYSUFRNJU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.56
Rot. Bonds2

About 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine

4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine (PubChem CID 58111118) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine
PubChem CID58111118
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine
SMILESCC(C)(C)C1C=CC(CN2CCOCC2)C1
InChIInChI=1S/C14H25NO/c1-14(2,3)13-5-4-12(10-13)11-15-6-8-16-9-7-15/h4-5,12-13H,6-11H2,1-3H3
InChIKeyHZXUGOYSUFRNJU-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine (CID 58111118) is 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine is CC(C)(C)C1C=CC(CN2CCOCC2)C1.
What is the InChIKey of 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine?
The InChIKey is HZXUGOYSUFRNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-14(2,3)13-5-4-12(10-13)11-15-6-8-16-9-7-15/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine?
4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine has a molecular weight of 223.36 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylcyclopent-2-en-1-yl)methyl]morpholine is sourced from PubChem (CID 58111118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).