N-(2-methoxypropyl)methanimine

C5H11NO — CID 144757244

IUPACN-(2-methoxypropyl)methanimine
SMILESC=NCC(C)OC
InChIInChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5H,2,4H2,1,3H3
InChIKeyXVMLIJXUAPYRNZ-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.72
Rot. Bonds3

About N-(2-methoxypropyl)methanimine

N-(2-methoxypropyl)methanimine (PubChem CID 144757244) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-(2-methoxypropyl)methanimine.

Molecular Properties

Compound NameN-(2-methoxypropyl)methanimine
PubChem CID144757244
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-(2-methoxypropyl)methanimine
SMILESC=NCC(C)OC
InChIInChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5H,2,4H2,1,3H3
InChIKeyXVMLIJXUAPYRNZ-UHFFFAOYSA-N
XLogP0.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-methoxypropyl)methanimine?
The IUPAC name of N-(2-methoxypropyl)methanimine (CID 144757244) is N-(2-methoxypropyl)methanimine.
What is the SMILES notation for N-(2-methoxypropyl)methanimine?
The canonical SMILES for N-(2-methoxypropyl)methanimine is C=NCC(C)OC.
What is the InChIKey of N-(2-methoxypropyl)methanimine?
The InChIKey is XVMLIJXUAPYRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(7-3)4-6-2/h5H,2,4H2,1,3H3.
What are the key properties of N-(2-methoxypropyl)methanimine?
N-(2-methoxypropyl)methanimine has a molecular weight of 101.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)methanimine is sourced from PubChem (CID 144757244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).