N,2-dimethylpropan-1-imine oxide

C5H11NO — CID 11062318

IUPACN,2-dimethylpropan-1-imine oxide
SMILESCC(C)/C=[N+](/C)[O-]
InChIInChI=1S/C5H11NO/c1-5(2)4-6(3)7/h4-5H,1-3H3/b6-4-
InChIKeyMLDHBTHLFCHRAA-XQRVVYSFSA-N
MW101.15 g/mol
LogP0.85
Rot. Bonds1

About N,2-dimethylpropan-1-imine oxide

N,2-dimethylpropan-1-imine oxide (PubChem CID 11062318) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N,2-dimethylpropan-1-imine oxide.

Molecular Properties

Compound NameN,2-dimethylpropan-1-imine oxide
PubChem CID11062318
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN,2-dimethylpropan-1-imine oxide
SMILESCC(C)/C=[N+](/C)[O-]
InChIInChI=1S/C5H11NO/c1-5(2)4-6(3)7/h4-5H,1-3H3/b6-4-
InChIKeyMLDHBTHLFCHRAA-XQRVVYSFSA-N
XLogP0.85
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-1-imine oxide?
The IUPAC name of N,2-dimethylpropan-1-imine oxide (CID 11062318) is N,2-dimethylpropan-1-imine oxide.
What is the SMILES notation for N,2-dimethylpropan-1-imine oxide?
The canonical SMILES for N,2-dimethylpropan-1-imine oxide is CC(C)/C=[N+](/C)[O-].
What is the InChIKey of N,2-dimethylpropan-1-imine oxide?
The InChIKey is MLDHBTHLFCHRAA-XQRVVYSFSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(2)4-6(3)7/h4-5H,1-3H3/b6-4-.
What are the key properties of N,2-dimethylpropan-1-imine oxide?
N,2-dimethylpropan-1-imine oxide has a molecular weight of 101.15 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-1-imine oxide is sourced from PubChem (CID 11062318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).