4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C25H53N3O — CID 157268585

IUPAC4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyAYGUBOWUINNWME-UHFFFAOYSA-N
MW411.72 g/mol
LogP5.27
Rot. Bonds

About 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 157268585) has the molecular formula C25H53N3O and a molecular weight of 411.72 g/mol. Its IUPAC name is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID157268585
Molecular FormulaC25H53N3O
Molecular Weight411.72 g/mol
Exact Mass411.42
IUPAC Name4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyAYGUBOWUINNWME-UHFFFAOYSA-N
XLogP5.27
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine 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-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 157268585) is 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is AYGUBOWUINNWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H17NO.C8H17N/c1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 411.72 g/mol, XLogP of 5.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 157268585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).