2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

C16H33NO2 — CID 114623082

IUPAC2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(C(C)OCC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO2/c1-8-10-17-14(12(3)18-9-2)13-11-15(4,5)19-16(13,6)7/h12-14,17H,8-11H2,1-7H3
InChIKeyYBCUFARDWVKYIA-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.37
Rot. Bonds7

About 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine

2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (PubChem CID 114623082) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
PubChem CID114623082
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
SMILESCCCNC(C(C)OCC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO2/c1-8-10-17-14(12(3)18-9-2)13-11-15(4,5)19-16(13,6)7/h12-14,17H,8-11H2,1-7H3
InChIKeyYBCUFARDWVKYIA-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine (CID 114623082) is 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is CCCNC(C(C)OCC)C1CC(C)(C)OC1(C)C.
What is the InChIKey of 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
The InChIKey is YBCUFARDWVKYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-8-10-17-14(12(3)18-9-2)13-11-15(4,5)19-16(13,6)7/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine?
2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine is sourced from PubChem (CID 114623082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).