2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine

C18H38N2O — CID 79915255

IUPAC2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN(C)C(C)(C)CC)C(C)(C)OC1(C)C
InChIInChI=1S/C18H38N2O/c1-10-12-19-15-14(13-20(9)16(3,4)11-2)17(5,6)21-18(15,7)8/h14-15,19H,10-13H2,1-9H3
InChIKeySQHDLWIGRROQDC-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.68
Rot. Bonds7

About 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine

2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine (PubChem CID 79915255) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine
PubChem CID79915255
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine
SMILESCCCNC1C(CN(C)C(C)(C)CC)C(C)(C)OC1(C)C
InChIInChI=1S/C18H38N2O/c1-10-12-19-15-14(13-20(9)16(3,4)11-2)17(5,6)21-18(15,7)8/h14-15,19H,10-13H2,1-9H3
InChIKeySQHDLWIGRROQDC-UHFFFAOYSA-N
XLogP3.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine (CID 79915255) is 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine is CCCNC1C(CN(C)C(C)(C)CC)C(C)(C)OC1(C)C.
What is the InChIKey of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
The InChIKey is SQHDLWIGRROQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-10-12-19-15-14(13-20(9)16(3,4)11-2)17(5,6)21-18(15,7)8/h14-15,19H,10-13H2,1-9H3.
What are the key properties of 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine?
2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine has a molecular weight of 298.52 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propyloxolan-3-amine is sourced from PubChem (CID 79915255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).