4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine

C16H32N2O3 — CID 57229217

IUPAC4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine
SMILESC(CCN1CCOCC1)COCCCCN1CCOCC1
InChIInChI=1S/C16H32N2O3/c1(5-17-7-13-20-14-8-17)3-11-19-12-4-2-6-18-9-15-21-16-10-18/h1-16H2
InChIKeyXGKFVOQIEXOTOZ-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.23
Rot. Bonds10

About 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine

4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine (PubChem CID 57229217) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine
PubChem CID57229217
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine
SMILESC(CCN1CCOCC1)COCCCCN1CCOCC1
InChIInChI=1S/C16H32N2O3/c1(5-17-7-13-20-14-8-17)3-11-19-12-4-2-6-18-9-15-21-16-10-18/h1-16H2
InChIKeyXGKFVOQIEXOTOZ-UHFFFAOYSA-N
XLogP1.23
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine?
The IUPAC name of 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine (CID 57229217) is 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine.
What is the SMILES notation for 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine?
The canonical SMILES for 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine is C(CCN1CCOCC1)COCCCCN1CCOCC1.
What is the InChIKey of 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine?
The InChIKey is XGKFVOQIEXOTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1(5-17-7-13-20-14-8-17)3-11-19-12-4-2-6-18-9-15-21-16-10-18/h1-16H2.
What are the key properties of 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine?
4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine has a molecular weight of 300.44 g/mol, XLogP of 1.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-morpholin-4-ylbutoxy)butyl]morpholine is sourced from PubChem (CID 57229217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).