4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid

C11H25NO4 — CID 145016284

IUPAC4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid
SMILESCCCNCCC(C)(C)COC.O=COO
InChIInChI=1S/C10H23NO.CH2O3/c1-5-7-11-8-6-10(2,3)9-12-4;2-1-4-3/h11H,5-9H2,1-4H3;1,3H
InChIKeyJVMFRDKLOWWODB-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.68
Rot. Bonds8

About 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid

4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid (PubChem CID 145016284) has the molecular formula C11H25NO4 and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid.

Molecular Properties

Compound Name4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid
PubChem CID145016284
Molecular FormulaC11H25NO4
Molecular Weight235.32 g/mol
Exact Mass235.18
IUPAC Name4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid
SMILESCCCNCCC(C)(C)COC.O=COO
InChIInChI=1S/C10H23NO.CH2O3/c1-5-7-11-8-6-10(2,3)9-12-4;2-1-4-3/h11H,5-9H2,1-4H3;1,3H
InChIKeyJVMFRDKLOWWODB-UHFFFAOYSA-N
XLogP1.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid?
The IUPAC name of 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid (CID 145016284) is 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid.
What is the SMILES notation for 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid?
The canonical SMILES for 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid is CCCNCCC(C)(C)COC.O=COO.
What is the InChIKey of 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid?
The InChIKey is JVMFRDKLOWWODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.CH2O3/c1-5-7-11-8-6-10(2,3)9-12-4;2-1-4-3/h11H,5-9H2,1-4H3;1,3H.
What are the key properties of 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid?
4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid has a molecular weight of 235.32 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethyl-N-propylbutan-1-amine;peroxyformic acid is sourced from PubChem (CID 145016284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).