N-ethylmethanimine

C3H7N — CID 535674

IUPACN-ethylmethanimine
SMILESC=NCC
InChIInChI=1S/C3H7N/c1-3-4-2/h2-3H2,1H3
InChIKeyFKOYAFITBICFAO-UHFFFAOYSA-N
MW57.10 g/mol
LogP0.71
Rot. Bonds1

About N-ethylmethanimine

N-ethylmethanimine (PubChem CID 535674) has the molecular formula C3H7N and a molecular weight of 57.10 g/mol. Its IUPAC name is N-ethylmethanimine.

Molecular Properties

Compound NameN-ethylmethanimine
PubChem CID535674
Molecular FormulaC3H7N
Molecular Weight57.10 g/mol
Exact Mass57.06
IUPAC NameN-ethylmethanimine
SMILESC=NCC
InChIInChI=1S/C3H7N/c1-3-4-2/h2-3H2,1H3
InChIKeyFKOYAFITBICFAO-UHFFFAOYSA-N
XLogP0.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50057.10
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethylmethanimine?
The IUPAC name of N-ethylmethanimine (CID 535674) is N-ethylmethanimine.
What is the SMILES notation for N-ethylmethanimine?
The canonical SMILES for N-ethylmethanimine is C=NCC.
What is the InChIKey of N-ethylmethanimine?
The InChIKey is FKOYAFITBICFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N/c1-3-4-2/h2-3H2,1H3.
What are the key properties of N-ethylmethanimine?
N-ethylmethanimine has a molecular weight of 57.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylmethanimine is sourced from PubChem (CID 535674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).