5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine

C7H13NO2 — CID 172593349

IUPAC5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine
SMILESCCC1=C(N)OC(C)(C)O1
InChIInChI=1S/C7H13NO2/c1-4-5-6(8)10-7(2,3)9-5/h4,8H2,1-3H3
InChIKeyHTFFAGAJWGDXRQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.31
Rot. Bonds1

About 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine

5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine (PubChem CID 172593349) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine
PubChem CID172593349
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine
SMILESCCC1=C(N)OC(C)(C)O1
InChIInChI=1S/C7H13NO2/c1-4-5-6(8)10-7(2,3)9-5/h4,8H2,1-3H3
InChIKeyHTFFAGAJWGDXRQ-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine?
The IUPAC name of 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine (CID 172593349) is 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine is CCC1=C(N)OC(C)(C)O1.
What is the InChIKey of 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine?
The InChIKey is HTFFAGAJWGDXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-5-6(8)10-7(2,3)9-5/h4,8H2,1-3H3.
What are the key properties of 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine?
5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine has a molecular weight of 143.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-1,3-dioxol-4-amine is sourced from PubChem (CID 172593349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).