3-(methylamino)propyl formate

C5H11NO2 — CID 55286195

IUPAC3-(methylamino)propyl formate
SMILESCNCCCOC=O
InChIInChI=1S/C5H11NO2/c1-6-3-2-4-8-5-7/h5-6H,2-4H2,1H3
InChIKeyMZVKMOAZONWJQD-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.23
Rot. Bonds5

About 3-(methylamino)propyl formate

3-(methylamino)propyl formate (PubChem CID 55286195) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-(methylamino)propyl formate.

Molecular Properties

Compound Name3-(methylamino)propyl formate
PubChem CID55286195
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-(methylamino)propyl formate
SMILESCNCCCOC=O
InChIInChI=1S/C5H11NO2/c1-6-3-2-4-8-5-7/h5-6H,2-4H2,1H3
InChIKeyMZVKMOAZONWJQD-UHFFFAOYSA-N
XLogP-0.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propyl formate?
The IUPAC name of 3-(methylamino)propyl formate (CID 55286195) is 3-(methylamino)propyl formate.
What is the SMILES notation for 3-(methylamino)propyl formate?
The canonical SMILES for 3-(methylamino)propyl formate is CNCCCOC=O.
What is the InChIKey of 3-(methylamino)propyl formate?
The InChIKey is MZVKMOAZONWJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-6-3-2-4-8-5-7/h5-6H,2-4H2,1H3.
What are the key properties of 3-(methylamino)propyl formate?
3-(methylamino)propyl formate has a molecular weight of 117.15 g/mol, XLogP of -0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propyl formate is sourced from PubChem (CID 55286195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).