N-ethyl-1,3-dioxol-4-amine

C5H9NO2 — CID 141148991

IUPACN-ethyl-1,3-dioxol-4-amine
SMILESCCNC1=COCO1
InChIInChI=1S/C5H9NO2/c1-2-6-5-3-7-4-8-5/h3,6H,2,4H2,1H3
InChIKeyLIAQNDULZWVIHZ-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.40
Rot. Bonds2

About N-ethyl-1,3-dioxol-4-amine

N-ethyl-1,3-dioxol-4-amine (PubChem CID 141148991) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is N-ethyl-1,3-dioxol-4-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dioxol-4-amine
PubChem CID141148991
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC NameN-ethyl-1,3-dioxol-4-amine
SMILESCCNC1=COCO1
InChIInChI=1S/C5H9NO2/c1-2-6-5-3-7-4-8-5/h3,6H,2,4H2,1H3
InChIKeyLIAQNDULZWVIHZ-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dioxol-4-amine?
The IUPAC name of N-ethyl-1,3-dioxol-4-amine (CID 141148991) is N-ethyl-1,3-dioxol-4-amine.
What is the SMILES notation for N-ethyl-1,3-dioxol-4-amine?
The canonical SMILES for N-ethyl-1,3-dioxol-4-amine is CCNC1=COCO1.
What is the InChIKey of N-ethyl-1,3-dioxol-4-amine?
The InChIKey is LIAQNDULZWVIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-6-5-3-7-4-8-5/h3,6H,2,4H2,1H3.
What are the key properties of N-ethyl-1,3-dioxol-4-amine?
N-ethyl-1,3-dioxol-4-amine has a molecular weight of 115.13 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dioxol-4-amine is sourced from PubChem (CID 141148991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).