2-[(dimethylamino)methyl]oxane-2,3-diol;ethane

C12H29NO3 — CID 143418563

IUPAC2-[(dimethylamino)methyl]oxane-2,3-diol;ethane
SMILESCC.CC.CN(C)CC1(O)OCCCC1O
InChIInChI=1S/C8H17NO3.2C2H6/c1-9(2)6-8(11)7(10)4-3-5-12-8;2*1-2/h7,10-11H,3-6H2,1-2H3;2*1-2H3
InChIKeyLRSGWAGOIXVSNA-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.46
Rot. Bonds2

About 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane

2-[(dimethylamino)methyl]oxane-2,3-diol;ethane (PubChem CID 143418563) has the molecular formula C12H29NO3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]oxane-2,3-diol;ethane
PubChem CID143418563
Molecular FormulaC12H29NO3
Molecular Weight235.37 g/mol
Exact Mass235.21
IUPAC Name2-[(dimethylamino)methyl]oxane-2,3-diol;ethane
SMILESCC.CC.CN(C)CC1(O)OCCCC1O
InChIInChI=1S/C8H17NO3.2C2H6/c1-9(2)6-8(11)7(10)4-3-5-12-8;2*1-2/h7,10-11H,3-6H2,1-2H3;2*1-2H3
InChIKeyLRSGWAGOIXVSNA-UHFFFAOYSA-N
XLogP1.46
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane?
The IUPAC name of 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane (CID 143418563) is 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane.
What is the SMILES notation for 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane?
The canonical SMILES for 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane is CC.CC.CN(C)CC1(O)OCCCC1O.
What is the InChIKey of 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane?
The InChIKey is LRSGWAGOIXVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.2C2H6/c1-9(2)6-8(11)7(10)4-3-5-12-8;2*1-2/h7,10-11H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane?
2-[(dimethylamino)methyl]oxane-2,3-diol;ethane has a molecular weight of 235.37 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]oxane-2,3-diol;ethane is sourced from PubChem (CID 143418563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).