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

C11H24N2O3 — CID 81130371

IUPAC4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol
SMILESCN(C)CC(O)CNCC1(O)CCOCC1
InChIInChI=1S/C11H24N2O3/c1-13(2)8-10(14)7-12-9-11(15)3-5-16-6-4-11/h10,12,14-15H,3-9H2,1-2H3
InChIKeySQWAEYZWPZYQHT-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.96
Rot. Bonds6

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

4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol (PubChem CID 81130371) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol
PubChem CID81130371
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol
SMILESCN(C)CC(O)CNCC1(O)CCOCC1
InChIInChI=1S/C11H24N2O3/c1-13(2)8-10(14)7-12-9-11(15)3-5-16-6-4-11/h10,12,14-15H,3-9H2,1-2H3
InChIKeySQWAEYZWPZYQHT-UHFFFAOYSA-N
XLogP-0.96
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol (CID 81130371) is 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol is CN(C)CC(O)CNCC1(O)CCOCC1.
What is the InChIKey of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
The InChIKey is SQWAEYZWPZYQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-13(2)8-10(14)7-12-9-11(15)3-5-16-6-4-11/h10,12,14-15H,3-9H2,1-2H3.
What are the key properties of 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol?
4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol has a molecular weight of 232.32 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(dimethylamino)-2-hydroxypropyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).