N-ethoxypropan-2-imine

C5H11NO — CID 14177406

IUPACN-ethoxypropan-2-imine
SMILESCCON=C(C)C
InChIInChI=1S/C5H11NO/c1-4-7-6-5(2)3/h4H2,1-3H3
InChIKeyFKHNGLPLDBBLBA-UHFFFAOYSA-N
MW101.15 g/mol
LogP1.42
Rot. Bonds2

About N-ethoxypropan-2-imine

N-ethoxypropan-2-imine (PubChem CID 14177406) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-ethoxypropan-2-imine.

Molecular Properties

Compound NameN-ethoxypropan-2-imine
PubChem CID14177406
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-ethoxypropan-2-imine
SMILESCCON=C(C)C
InChIInChI=1S/C5H11NO/c1-4-7-6-5(2)3/h4H2,1-3H3
InChIKeyFKHNGLPLDBBLBA-UHFFFAOYSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-ethoxypropan-2-imine?
The IUPAC name of N-ethoxypropan-2-imine (CID 14177406) is N-ethoxypropan-2-imine.
What is the SMILES notation for N-ethoxypropan-2-imine?
The canonical SMILES for N-ethoxypropan-2-imine is CCON=C(C)C.
What is the InChIKey of N-ethoxypropan-2-imine?
The InChIKey is FKHNGLPLDBBLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-7-6-5(2)3/h4H2,1-3H3.
What are the key properties of N-ethoxypropan-2-imine?
N-ethoxypropan-2-imine has a molecular weight of 101.15 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxypropan-2-imine is sourced from PubChem (CID 14177406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).