2,2,5-trimethyl-1,3-dioxol-4-amine

C6H11NO2 — CID 163638532

IUPAC2,2,5-trimethyl-1,3-dioxol-4-amine
SMILESCC1=C(N)OC(C)(C)O1
InChIInChI=1S/C6H11NO2/c1-4-5(7)9-6(2,3)8-4/h7H2,1-3H3
InChIKeyICGNRBTZBAFCQO-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.92
Rot. Bonds

About 2,2,5-trimethyl-1,3-dioxol-4-amine

2,2,5-trimethyl-1,3-dioxol-4-amine (PubChem CID 163638532) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2,2,5-trimethyl-1,3-dioxol-4-amine.

Molecular Properties

Compound Name2,2,5-trimethyl-1,3-dioxol-4-amine
PubChem CID163638532
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2,2,5-trimethyl-1,3-dioxol-4-amine
SMILESCC1=C(N)OC(C)(C)O1
InChIInChI=1S/C6H11NO2/c1-4-5(7)9-6(2,3)8-4/h7H2,1-3H3
InChIKeyICGNRBTZBAFCQO-UHFFFAOYSA-N
XLogP0.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,5-trimethyl-1,3-dioxol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1,3-dioxol-4-amine?
The IUPAC name of 2,2,5-trimethyl-1,3-dioxol-4-amine (CID 163638532) is 2,2,5-trimethyl-1,3-dioxol-4-amine.
What is the SMILES notation for 2,2,5-trimethyl-1,3-dioxol-4-amine?
The canonical SMILES for 2,2,5-trimethyl-1,3-dioxol-4-amine is CC1=C(N)OC(C)(C)O1.
What is the InChIKey of 2,2,5-trimethyl-1,3-dioxol-4-amine?
The InChIKey is ICGNRBTZBAFCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-5(7)9-6(2,3)8-4/h7H2,1-3H3.
What are the key properties of 2,2,5-trimethyl-1,3-dioxol-4-amine?
2,2,5-trimethyl-1,3-dioxol-4-amine has a molecular weight of 129.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1,3-dioxol-4-amine is sourced from PubChem (CID 163638532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).