2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol

C16H34N2O3 — CID 79912537

IUPAC2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol
SMILESCCCNC1C(CN(CCO)CCO)C(C)(C)OC1(C)C
InChIInChI=1S/C16H34N2O3/c1-6-7-17-14-13(12-18(8-10-19)9-11-20)15(2,3)21-16(14,4)5/h13-14,17,19-20H,6-12H2,1-5H3
InChIKeyUHPORVBEHTWBCK-UHFFFAOYSA-N
MW302.46 g/mol
LogP0.84
Rot. Bonds9

About 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol

2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol (PubChem CID 79912537) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol
PubChem CID79912537
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol
SMILESCCCNC1C(CN(CCO)CCO)C(C)(C)OC1(C)C
InChIInChI=1S/C16H34N2O3/c1-6-7-17-14-13(12-18(8-10-19)9-11-20)15(2,3)21-16(14,4)5/h13-14,17,19-20H,6-12H2,1-5H3
InChIKeyUHPORVBEHTWBCK-UHFFFAOYSA-N
XLogP0.84
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol (CID 79912537) is 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol is CCCNC1C(CN(CCO)CCO)C(C)(C)OC1(C)C.
What is the InChIKey of 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol?
The InChIKey is UHPORVBEHTWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-6-7-17-14-13(12-18(8-10-19)9-11-20)15(2,3)21-16(14,4)5/h13-14,17,19-20H,6-12H2,1-5H3.
What are the key properties of 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol?
2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol has a molecular weight of 302.46 g/mol, XLogP of 0.84, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[[2,2,5,5-tetramethyl-4-(propylamino)oxolan-3-yl]methyl]amino]ethanol is sourced from PubChem (CID 79912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).