4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine

C13H25NO — CID 104940356

IUPAC4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine
SMILESCC(=CCCN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H25NO/c1-10(7-6-8-14)11-9-12(2,3)15-13(11,4)5/h7,11H,6,8-9,14H2,1-5H3
InChIKeyPRKUBWNTMSDRIB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds3

About 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine

4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine (PubChem CID 104940356) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine
PubChem CID104940356
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine
SMILESCC(=CCCN)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H25NO/c1-10(7-6-8-14)11-9-12(2,3)15-13(11,4)5/h7,11H,6,8-9,14H2,1-5H3
InChIKeyPRKUBWNTMSDRIB-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-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)pent-3-en-1-amine?
The IUPAC name of 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine (CID 104940356) is 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine.
What is the SMILES notation for 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine?
The canonical SMILES for 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine is CC(=CCCN)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine?
The InChIKey is PRKUBWNTMSDRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(7-6-8-14)11-9-12(2,3)15-13(11,4)5/h7,11H,6,8-9,14H2,1-5H3.
What are the key properties of 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine?
4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,5,5-tetramethyloxolan-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 104940356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).