1-(2-methylpropylamino)oxypropan-2-one

C7H15NO2 — CID 23150488

IUPAC1-(2-methylpropylamino)oxypropan-2-one
SMILESCC(=O)CONCC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-8-10-5-7(3)9/h6,8H,4-5H2,1-3H3
InChIKeyPKKSMTUIDYKLLP-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.75
Rot. Bonds5

About 1-(2-methylpropylamino)oxypropan-2-one

1-(2-methylpropylamino)oxypropan-2-one (PubChem CID 23150488) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(2-methylpropylamino)oxypropan-2-one.

Molecular Properties

Compound Name1-(2-methylpropylamino)oxypropan-2-one
PubChem CID23150488
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(2-methylpropylamino)oxypropan-2-one
SMILESCC(=O)CONCC(C)C
InChIInChI=1S/C7H15NO2/c1-6(2)4-8-10-5-7(3)9/h6,8H,4-5H2,1-3H3
InChIKeyPKKSMTUIDYKLLP-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylamino)oxypropan-2-one?
The IUPAC name of 1-(2-methylpropylamino)oxypropan-2-one (CID 23150488) is 1-(2-methylpropylamino)oxypropan-2-one.
What is the SMILES notation for 1-(2-methylpropylamino)oxypropan-2-one?
The canonical SMILES for 1-(2-methylpropylamino)oxypropan-2-one is CC(=O)CONCC(C)C.
What is the InChIKey of 1-(2-methylpropylamino)oxypropan-2-one?
The InChIKey is PKKSMTUIDYKLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)4-8-10-5-7(3)9/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methylpropylamino)oxypropan-2-one?
1-(2-methylpropylamino)oxypropan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylamino)oxypropan-2-one is sourced from PubChem (CID 23150488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).