3-(propylperoxymethoxy)propan-1-amine

C7H17NO3 — CID 170060757

IUPAC3-(propylperoxymethoxy)propan-1-amine
SMILESCCCOOCOCCCN
InChIInChI=1S/C7H17NO3/c1-2-5-10-11-7-9-6-3-4-8/h2-8H2,1H3
InChIKeyVWTTWLURRLGPQT-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.67
Rot. Bonds8

About 3-(propylperoxymethoxy)propan-1-amine

3-(propylperoxymethoxy)propan-1-amine (PubChem CID 170060757) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(propylperoxymethoxy)propan-1-amine.

Molecular Properties

Compound Name3-(propylperoxymethoxy)propan-1-amine
PubChem CID170060757
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name3-(propylperoxymethoxy)propan-1-amine
SMILESCCCOOCOCCCN
InChIInChI=1S/C7H17NO3/c1-2-5-10-11-7-9-6-3-4-8/h2-8H2,1H3
InChIKeyVWTTWLURRLGPQT-UHFFFAOYSA-N
XLogP0.67
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(propoxymethoxy)propan-1-amine
CID 87914264
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159
4-(4-propoxybutoxy)butan-1-amine
CID 87914116
3-(15-dodecoxypentadecoxy)propan-1-amine
CID 87645067
3-[3-[2-(3-aminopropoxy)ethoxy]propoxy]propan-1-amine
CID 118897120
3-(3-aminopropoxy)propan-1-amine;ethane
CID 23031033
3-dodecoxypropan-1-amine;hydrobromide
CID 173075424
6-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]hexan-1-amine
CID 104566998
3-(tributylstannylmethoxymethoxy)propan-1-amine
CID 175081278
2-(propoxymethoxy)ethanamine;1-(propoxymethoxy)propane;hydroiodide
CID 158068690
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179
1,3-bis(propoxymethoxy)propane;methane
CID 164971527

Frequently Asked Questions

What is the IUPAC name of 3-(propylperoxymethoxy)propan-1-amine?
The IUPAC name of 3-(propylperoxymethoxy)propan-1-amine (CID 170060757) is 3-(propylperoxymethoxy)propan-1-amine.
What is the SMILES notation for 3-(propylperoxymethoxy)propan-1-amine?
The canonical SMILES for 3-(propylperoxymethoxy)propan-1-amine is CCCOOCOCCCN.
What is the InChIKey of 3-(propylperoxymethoxy)propan-1-amine?
The InChIKey is VWTTWLURRLGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-2-5-10-11-7-9-6-3-4-8/h2-8H2,1H3.
What are the key properties of 3-(propylperoxymethoxy)propan-1-amine?
3-(propylperoxymethoxy)propan-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylperoxymethoxy)propan-1-amine is sourced from PubChem (CID 170060757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).