4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C17H36N2O — CID 79934180

IUPAC4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCC(CC)CN(CC)CC1C(N)C(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O/c1-8-13(9-2)11-19(10-3)12-14-15(18)17(6,7)20-16(14,4)5/h13-15H,8-12,18H2,1-7H3
InChIKeyMIXNXMYGIRJCON-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.28
Rot. Bonds7

About 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine

4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79934180) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79934180
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCC(CC)CN(CC)CC1C(N)C(C)(C)OC1(C)C
InChIInChI=1S/C17H36N2O/c1-8-13(9-2)11-19(10-3)12-14-15(18)17(6,7)20-16(14,4)5/h13-15H,8-12,18H2,1-7H3
InChIKeyMIXNXMYGIRJCON-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 79934180) is 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCC(CC)CN(CC)CC1C(N)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is MIXNXMYGIRJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-8-13(9-2)11-19(10-3)12-14-15(18)17(6,7)20-16(14,4)5/h13-15H,8-12,18H2,1-7H3.
What are the key properties of 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 284.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-ethylbutyl)amino]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79934180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).