N-(dimethoxymethyl)ethenamine

C5H11NO2 — CID 151253645

IUPACN-(dimethoxymethyl)ethenamine
SMILESC=CNC(OC)OC
InChIInChI=1S/C5H11NO2/c1-4-6-5(7-2)8-3/h4-6H,1H2,2-3H3
InChIKeyNSWBGBAJWUEWAV-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.30
Rot. Bonds4

About N-(dimethoxymethyl)ethenamine

N-(dimethoxymethyl)ethenamine (PubChem CID 151253645) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-(dimethoxymethyl)ethenamine.

Molecular Properties

Compound NameN-(dimethoxymethyl)ethenamine
PubChem CID151253645
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-(dimethoxymethyl)ethenamine
SMILESC=CNC(OC)OC
InChIInChI=1S/C5H11NO2/c1-4-6-5(7-2)8-3/h4-6H,1H2,2-3H3
InChIKeyNSWBGBAJWUEWAV-UHFFFAOYSA-N
XLogP0.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethoxymethyl)ethenamine?
The IUPAC name of N-(dimethoxymethyl)ethenamine (CID 151253645) is N-(dimethoxymethyl)ethenamine.
What is the SMILES notation for N-(dimethoxymethyl)ethenamine?
The canonical SMILES for N-(dimethoxymethyl)ethenamine is C=CNC(OC)OC.
What is the InChIKey of N-(dimethoxymethyl)ethenamine?
The InChIKey is NSWBGBAJWUEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4-6-5(7-2)8-3/h4-6H,1H2,2-3H3.
What are the key properties of N-(dimethoxymethyl)ethenamine?
N-(dimethoxymethyl)ethenamine has a molecular weight of 117.15 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethoxymethyl)ethenamine is sourced from PubChem (CID 151253645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).