N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C16H33NO2 — CID 103029492

IUPACN-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO2/c1-9-17-13(11-14(2,3)18-8)12-10-15(4,5)19-16(12,6)7/h12-13,17H,9-11H2,1-8H3
InChIKeyHUVSIQMWKKXTIH-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.37
Rot. Bonds6

About N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 103029492) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID103029492
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO2/c1-9-17-13(11-14(2,3)18-8)12-10-15(4,5)19-16(12,6)7/h12-13,17H,9-11H2,1-8H3
InChIKeyHUVSIQMWKKXTIH-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-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 N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 103029492) is N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCNC(CC(C)(C)OC)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is HUVSIQMWKKXTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-9-17-13(11-14(2,3)18-8)12-10-15(4,5)19-16(12,6)7/h12-13,17H,9-11H2,1-8H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 103029492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).