4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

C30H64N4O — CID 157231553

IUPAC4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1
InChIInChI=1S/2C8H17N.C7H15NO.C7H15N/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAUDWUDQEDBHTHT-UHFFFAOYSA-N
MW496.87 g/mol
LogP5.98
Rot. Bonds4

About 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine

4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (PubChem CID 157231553) has the molecular formula C30H64N4O and a molecular weight of 496.87 g/mol. Its IUPAC name is 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
PubChem CID157231553
Molecular FormulaC30H64N4O
Molecular Weight496.87 g/mol
Exact Mass496.51
IUPAC Name4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1
InChIInChI=1S/2C8H17N.C7H15NO.C7H15N/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyAUDWUDQEDBHTHT-UHFFFAOYSA-N
XLogP5.98
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine 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-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The IUPAC name of 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine (CID 157231553) is 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine.
What is the SMILES notation for 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The canonical SMILES for 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.
What is the InChIKey of 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
The InChIKey is AUDWUDQEDBHTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N.C7H15NO.C7H15N/c2*1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8/h2*8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine?
4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine has a molecular weight of 496.87 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine);1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157231553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).