N-methoxy-2,2,5,5-tetramethyloxolan-3-amine

C9H19NO2 — CID 82707260

IUPACN-methoxy-2,2,5,5-tetramethyloxolan-3-amine
SMILESCONC1CC(C)(C)OC1(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h7,10H,6H2,1-5H3
InChIKeyDJIIJYZAVRNWIT-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.48
Rot. Bonds2

About N-methoxy-2,2,5,5-tetramethyloxolan-3-amine

N-methoxy-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 82707260) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methoxy-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-methoxy-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID82707260
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-methoxy-2,2,5,5-tetramethyloxolan-3-amine
SMILESCONC1CC(C)(C)OC1(C)C
InChIInChI=1S/C9H19NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h7,10H,6H2,1-5H3
InChIKeyDJIIJYZAVRNWIT-UHFFFAOYSA-N
XLogP1.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-methoxy-2,2,5,5-tetramethyloxolan-3-amine (CID 82707260) is N-methoxy-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-methoxy-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-methoxy-2,2,5,5-tetramethyloxolan-3-amine is CONC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methoxy-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is DJIIJYZAVRNWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)6-7(10-11-5)9(3,4)12-8/h7,10H,6H2,1-5H3.
What are the key properties of N-methoxy-2,2,5,5-tetramethyloxolan-3-amine?
N-methoxy-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 173.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 82707260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).