2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine

C13H23NO — CID 106225278

IUPAC2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine
SMILESC#CC(CC)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H23NO/c1-7-10(8-2)14-11-9-12(3,4)15-13(11,5)6/h1,10-11,14H,8-9H2,2-6H3
InChIKeyODAIICWAWYGDHP-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine

2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine (PubChem CID 106225278) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine
PubChem CID106225278
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine
SMILESC#CC(CC)NC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H23NO/c1-7-10(8-2)14-11-9-12(3,4)15-13(11,5)6/h1,10-11,14H,8-9H2,2-6H3
InChIKeyODAIICWAWYGDHP-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine (CID 106225278) is 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine is C#CC(CC)NC1CC(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine?
The InChIKey is ODAIICWAWYGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-7-10(8-2)14-11-9-12(3,4)15-13(11,5)6/h1,10-11,14H,8-9H2,2-6H3.
What are the key properties of 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine?
2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine has a molecular weight of 209.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-pent-1-yn-3-yloxolan-3-amine is sourced from PubChem (CID 106225278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).