2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C17H35NO2 — CID 114623536

IUPAC2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCOC(C(NC)C1CC(C)(C)OC1(C)C)C(C)(C)C
InChIInChI=1S/C17H35NO2/c1-10-19-14(15(2,3)4)13(18-9)12-11-16(5,6)20-17(12,7)8/h12-14,18H,10-11H2,1-9H3
InChIKeySEQRRPPTJBOZST-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.62
Rot. Bonds5

About 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114623536) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114623536
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCOC(C(NC)C1CC(C)(C)OC1(C)C)C(C)(C)C
InChIInChI=1S/C17H35NO2/c1-10-19-14(15(2,3)4)13(18-9)12-11-16(5,6)20-17(12,7)8/h12-14,18H,10-11H2,1-9H3
InChIKeySEQRRPPTJBOZST-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114623536) is 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCOC(C(NC)C1CC(C)(C)OC1(C)C)C(C)(C)C.
What is the InChIKey of 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is SEQRRPPTJBOZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-10-19-14(15(2,3)4)13(18-9)12-11-16(5,6)20-17(12,7)8/h12-14,18H,10-11H2,1-9H3.
What are the key properties of 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114623536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).