N-ethenyl-1-methoxyethanamine

C5H11NO — CID 134202269

IUPACN-ethenyl-1-methoxyethanamine
SMILESC=CNC(C)OC
InChIInChI=1S/C5H11NO/c1-4-6-5(2)7-3/h4-6H,1H2,2-3H3
InChIKeyUKXSPFQNGNNCFW-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.71
Rot. Bonds3

About N-ethenyl-1-methoxyethanamine

N-ethenyl-1-methoxyethanamine (PubChem CID 134202269) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-ethenyl-1-methoxyethanamine.

Molecular Properties

Compound NameN-ethenyl-1-methoxyethanamine
PubChem CID134202269
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-ethenyl-1-methoxyethanamine
SMILESC=CNC(C)OC
InChIInChI=1S/C5H11NO/c1-4-6-5(2)7-3/h4-6H,1H2,2-3H3
InChIKeyUKXSPFQNGNNCFW-UHFFFAOYSA-N
XLogP0.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethenyl-1-methoxyethanamine?
The IUPAC name of N-ethenyl-1-methoxyethanamine (CID 134202269) is N-ethenyl-1-methoxyethanamine.
What is the SMILES notation for N-ethenyl-1-methoxyethanamine?
The canonical SMILES for N-ethenyl-1-methoxyethanamine is C=CNC(C)OC.
What is the InChIKey of N-ethenyl-1-methoxyethanamine?
The InChIKey is UKXSPFQNGNNCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-4-6-5(2)7-3/h4-6H,1H2,2-3H3.
What are the key properties of N-ethenyl-1-methoxyethanamine?
N-ethenyl-1-methoxyethanamine has a molecular weight of 101.15 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-1-methoxyethanamine is sourced from PubChem (CID 134202269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).