1-(propan-2-yloxymethylamino)propan-2-one

C7H15NO2 — CID 146243538

IUPAC1-(propan-2-yloxymethylamino)propan-2-one
SMILESCC(=O)CNCOC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)10-5-8-4-7(3)9/h6,8H,4-5H2,1-3H3
InChIKeyLNWNXAJPMLHOOB-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.55
Rot. Bonds5

About 1-(propan-2-yloxymethylamino)propan-2-one

1-(propan-2-yloxymethylamino)propan-2-one (PubChem CID 146243538) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(propan-2-yloxymethylamino)propan-2-one.

Molecular Properties

Compound Name1-(propan-2-yloxymethylamino)propan-2-one
PubChem CID146243538
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(propan-2-yloxymethylamino)propan-2-one
SMILESCC(=O)CNCOC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)10-5-8-4-7(3)9/h6,8H,4-5H2,1-3H3
InChIKeyLNWNXAJPMLHOOB-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(propan-2-yloxymethylamino)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-yloxymethylamino)propan-2-one?
The IUPAC name of 1-(propan-2-yloxymethylamino)propan-2-one (CID 146243538) is 1-(propan-2-yloxymethylamino)propan-2-one.
What is the SMILES notation for 1-(propan-2-yloxymethylamino)propan-2-one?
The canonical SMILES for 1-(propan-2-yloxymethylamino)propan-2-one is CC(=O)CNCOC(C)C.
What is the InChIKey of 1-(propan-2-yloxymethylamino)propan-2-one?
The InChIKey is LNWNXAJPMLHOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)10-5-8-4-7(3)9/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(propan-2-yloxymethylamino)propan-2-one?
1-(propan-2-yloxymethylamino)propan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-yloxymethylamino)propan-2-one is sourced from PubChem (CID 146243538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).