N-ethylpropan-1-imine oxide

C5H11NO — CID 13999837

IUPACN-ethylpropan-1-imine oxide
SMILESCC/C=[N+](\CC)/[O-]
InChIInChI=1S/C5H11NO/c1-3-5-6(7)4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKeySPTNTFSSZUDXEG-AATRIKPKSA-N
MW101.15 g/mol
LogP0.10
Rot. Bonds2

About N-ethylpropan-1-imine oxide

N-ethylpropan-1-imine oxide (PubChem CID 13999837) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-ethylpropan-1-imine oxide.

Molecular Properties

Compound NameN-ethylpropan-1-imine oxide
PubChem CID13999837
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-ethylpropan-1-imine oxide
SMILESCC/C=[N+](\CC)/[O-]
InChIInChI=1S/C5H11NO/c1-3-5-6(7)4-2/h5H,3-4H2,1-2H3/b6-5+
InChIKeySPTNTFSSZUDXEG-AATRIKPKSA-N
XLogP0.10
TPSA28.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity68

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.10
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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Related Compounds

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CID 8069
Butyraldoxime, (E)-
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Butyraldoxime, (Z)-
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N-ethylethanimine oxide
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(Z)-butyl(butylidene)azane oxide
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Mldhbthlfchraa-xqrvvysfsa-
CID 11062318
Xhbciemaskbfgw-alcczggfsa-
CID 11062349
N-tert-butylethanimine oxide
CID 58016285
Methanamine, N-butylidene-, N-oxide
CID 3036365
N-methylhexan-1-imine oxide
CID 11815378
(Z)-N-(tert-butyl)ethanimine oxide
CID 13033933

Frequently Asked Questions

What is the IUPAC name of N-ethylpropan-1-imine oxide?
The IUPAC name of N-ethylpropan-1-imine oxide (CID 13999837) is N-ethylpropan-1-imine oxide.
What is the SMILES notation for N-ethylpropan-1-imine oxide?
The canonical SMILES for N-ethylpropan-1-imine oxide is CC/C=[N+](\CC)/[O-].
What is the InChIKey of N-ethylpropan-1-imine oxide?
The InChIKey is SPTNTFSSZUDXEG-AATRIKPKSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-5-6(7)4-2/h5H,3-4H2,1-2H3/b6-5+.
What are the key properties of N-ethylpropan-1-imine oxide?
N-ethylpropan-1-imine oxide has a molecular weight of 101.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpropan-1-imine oxide is sourced from PubChem (CID 13999837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).