3-acetamido-N,N-dimethylpropan-1-amine oxide

C7H16N2O2 — CID 18724202

IUPAC3-acetamido-N,N-dimethylpropan-1-amine oxide
SMILESCC(=O)NCCC[N+](C)(C)[O-]
InChIInChI=1S/C7H16N2O2/c1-7(10)8-5-4-6-9(2,3)11/h4-6H2,1-3H3,(H,8,10)
InChIKeyCAVANFMWKSKWTF-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.09
Rot. Bonds4

About 3-acetamido-N,N-dimethylpropan-1-amine oxide

3-acetamido-N,N-dimethylpropan-1-amine oxide (PubChem CID 18724202) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-acetamido-N,N-dimethylpropan-1-amine oxide.

Molecular Properties

Compound Name3-acetamido-N,N-dimethylpropan-1-amine oxide
PubChem CID18724202
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name3-acetamido-N,N-dimethylpropan-1-amine oxide
SMILESCC(=O)NCCC[N+](C)(C)[O-]
InChIInChI=1S/C7H16N2O2/c1-7(10)8-5-4-6-9(2,3)11/h4-6H2,1-3H3,(H,8,10)
InChIKeyCAVANFMWKSKWTF-UHFFFAOYSA-N
XLogP0.09
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N,N-dimethylpropan-1-amine oxide?
The IUPAC name of 3-acetamido-N,N-dimethylpropan-1-amine oxide (CID 18724202) is 3-acetamido-N,N-dimethylpropan-1-amine oxide.
What is the SMILES notation for 3-acetamido-N,N-dimethylpropan-1-amine oxide?
The canonical SMILES for 3-acetamido-N,N-dimethylpropan-1-amine oxide is CC(=O)NCCC[N+](C)(C)[O-].
What is the InChIKey of 3-acetamido-N,N-dimethylpropan-1-amine oxide?
The InChIKey is CAVANFMWKSKWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(10)8-5-4-6-9(2,3)11/h4-6H2,1-3H3,(H,8,10).
What are the key properties of 3-acetamido-N,N-dimethylpropan-1-amine oxide?
3-acetamido-N,N-dimethylpropan-1-amine oxide has a molecular weight of 160.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N,N-dimethylpropan-1-amine oxide is sourced from PubChem (CID 18724202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).