2-pentyl-4-propylmorpholine

C12H25NO — CID 67376987

IUPAC2-pentyl-4-propylmorpholine
SMILESCCCCCC1CN(CCC)CCO1
InChIInChI=1S/C12H25NO/c1-3-5-6-7-12-11-13(8-4-2)9-10-14-12/h12H,3-11H2,1-2H3
InChIKeyJRMPDWBYPFVMEQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds6

About 2-pentyl-4-propylmorpholine

2-pentyl-4-propylmorpholine (PubChem CID 67376987) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-pentyl-4-propylmorpholine.

Molecular Properties

Compound Name2-pentyl-4-propylmorpholine
PubChem CID67376987
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-pentyl-4-propylmorpholine
SMILESCCCCCC1CN(CCC)CCO1
InChIInChI=1S/C12H25NO/c1-3-5-6-7-12-11-13(8-4-2)9-10-14-12/h12H,3-11H2,1-2H3
InChIKeyJRMPDWBYPFVMEQ-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-pentyl-4-propylmorpholine?
The IUPAC name of 2-pentyl-4-propylmorpholine (CID 67376987) is 2-pentyl-4-propylmorpholine.
What is the SMILES notation for 2-pentyl-4-propylmorpholine?
The canonical SMILES for 2-pentyl-4-propylmorpholine is CCCCCC1CN(CCC)CCO1.
What is the InChIKey of 2-pentyl-4-propylmorpholine?
The InChIKey is JRMPDWBYPFVMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-7-12-11-13(8-4-2)9-10-14-12/h12H,3-11H2,1-2H3.
What are the key properties of 2-pentyl-4-propylmorpholine?
2-pentyl-4-propylmorpholine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4-propylmorpholine is sourced from PubChem (CID 67376987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).