4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol

C13H28N2O3 — CID 81131062

IUPAC4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol
SMILESCCN(CC)CC(O)CNCC1(O)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-3-15(4-2)10-12(16)9-14-11-13(17)5-7-18-8-6-13/h12,14,16-17H,3-11H2,1-2H3
InChIKeyYVRUWDXLYQIRLS-UHFFFAOYSA-N
MW260.38 g/mol
LogP-0.18
Rot. Bonds8

About 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol

4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol (PubChem CID 81131062) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol
PubChem CID81131062
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol
SMILESCCN(CC)CC(O)CNCC1(O)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-3-15(4-2)10-12(16)9-14-11-13(17)5-7-18-8-6-13/h12,14,16-17H,3-11H2,1-2H3
InChIKeyYVRUWDXLYQIRLS-UHFFFAOYSA-N
XLogP-0.18
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol (CID 81131062) is 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol is CCN(CC)CC(O)CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
The InChIKey is YVRUWDXLYQIRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-3-15(4-2)10-12(16)9-14-11-13(17)5-7-18-8-6-13/h12,14,16-17H,3-11H2,1-2H3.
What are the key properties of 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol has a molecular weight of 260.38 g/mol, XLogP of -0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(diethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81131062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).