2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine

C12H25NO2 — CID 154661277

IUPAC2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
SMILESCC(C)OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)14-7-5-6-13-8-11(3)15-12(4)9-13/h10-12H,5-9H2,1-4H3
InChIKeyPQSOXFZCLNSYDE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.91
Rot. Bonds5

About 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine

2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine (PubChem CID 154661277) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
PubChem CID154661277
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
SMILESCC(C)OCCCN1CC(C)OC(C)C1
InChIInChI=1S/C12H25NO2/c1-10(2)14-7-5-6-13-8-11(3)15-12(4)9-13/h10-12H,5-9H2,1-4H3
InChIKeyPQSOXFZCLNSYDE-UHFFFAOYSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine (CID 154661277) is 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine is CC(C)OCCCN1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine?
The InChIKey is PQSOXFZCLNSYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10(2)14-7-5-6-13-8-11(3)15-12(4)9-13/h10-12H,5-9H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine?
2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine has a molecular weight of 215.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine is sourced from PubChem (CID 154661277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).