4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine

C18H36N2O2 — CID 15370619

IUPAC4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine
SMILESCC(CCCCC(C)CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C18H36N2O2/c1-17(15-19-7-11-21-12-8-19)5-3-4-6-18(2)16-20-9-13-22-14-10-20/h17-18H,3-16H2,1-2H3
InChIKeyIHXSSEZGDXYJSW-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.48
Rot. Bonds9

About 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine

4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine (PubChem CID 15370619) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine.

Molecular Properties

Compound Name4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine
PubChem CID15370619
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine
SMILESCC(CCCCC(C)CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C18H36N2O2/c1-17(15-19-7-11-21-12-8-19)5-3-4-6-18(2)16-20-9-13-22-14-10-20/h17-18H,3-16H2,1-2H3
InChIKeyIHXSSEZGDXYJSW-UHFFFAOYSA-N
XLogP2.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine?
The IUPAC name of 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine (CID 15370619) is 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine.
What is the SMILES notation for 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine?
The canonical SMILES for 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine is CC(CCCCC(C)CN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine?
The InChIKey is IHXSSEZGDXYJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-17(15-19-7-11-21-12-8-19)5-3-4-6-18(2)16-20-9-13-22-14-10-20/h17-18H,3-16H2,1-2H3.
What are the key properties of 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine?
4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine has a molecular weight of 312.50 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethyl-8-morpholin-4-yloctyl)morpholine is sourced from PubChem (CID 15370619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).