N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine

C13H27NO2 — CID 79916341

IUPACN-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOCCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO2/c1-6-15-9-7-8-14-11-10-12(2,3)16-13(11,4)5/h11,14H,6-10H2,1-5H3
InChIKeyPRZGUPUWUPOFOY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds6

About N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine

N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79916341) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79916341
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOCCCNC1CC(C)(C)OC1(C)C
InChIInChI=1S/C13H27NO2/c1-6-15-9-7-8-14-11-10-12(2,3)16-13(11,4)5/h11,14H,6-10H2,1-5H3
InChIKeyPRZGUPUWUPOFOY-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine (CID 79916341) is N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine is CCOCCCNC1CC(C)(C)OC1(C)C.
What is the InChIKey of N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is PRZGUPUWUPOFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-6-15-9-7-8-14-11-10-12(2,3)16-13(11,4)5/h11,14H,6-10H2,1-5H3.
What are the key properties of N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine?
N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79916341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).