4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine

C13H25NO2 — CID 114622285

IUPAC4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine
SMILESCC1(C)CC(C2(N)CCOCC2)C(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-11(2)9-10(12(3,4)16-11)13(14)5-7-15-8-6-13/h10H,5-9,14H2,1-4H3
InChIKeyWOOWYFQKKWPDIK-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.09
Rot. Bonds1

About 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine

4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine (PubChem CID 114622285) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine
PubChem CID114622285
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine
SMILESCC1(C)CC(C2(N)CCOCC2)C(C)(C)O1
InChIInChI=1S/C13H25NO2/c1-11(2)9-10(12(3,4)16-11)13(14)5-7-15-8-6-13/h10H,5-9,14H2,1-4H3
InChIKeyWOOWYFQKKWPDIK-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-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 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine?
The IUPAC name of 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine (CID 114622285) is 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine.
What is the SMILES notation for 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine?
The canonical SMILES for 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine is CC1(C)CC(C2(N)CCOCC2)C(C)(C)O1.
What is the InChIKey of 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine?
The InChIKey is WOOWYFQKKWPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)9-10(12(3,4)16-11)13(14)5-7-15-8-6-13/h10H,5-9,14H2,1-4H3.
What are the key properties of 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine?
4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine has a molecular weight of 227.35 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethyloxolan-3-yl)oxan-4-amine is sourced from PubChem (CID 114622285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).