6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane

C10H25NO5 — CID 171505184

IUPAC6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
SMILESCC.CN(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H19NO5.C2H6/c1-9(2)3-5(11)7(13)8(14)6(12)4-10;1-2/h5-8,10-14H,3-4H2,1-2H3;1-2H3
InChIKeyLFDUMYYSRVMFPA-UHFFFAOYSA-N
MW239.31 g/mol
LogP-1.99
Rot. Bonds6

About 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane

6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane (PubChem CID 171505184) has the molecular formula C10H25NO5 and a molecular weight of 239.31 g/mol. Its IUPAC name is 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane.

Molecular Properties

Compound Name6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
PubChem CID171505184
Molecular FormulaC10H25NO5
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC Name6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
SMILESCC.CN(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C8H19NO5.C2H6/c1-9(2)3-5(11)7(13)8(14)6(12)4-10;1-2/h5-8,10-14H,3-4H2,1-2H3;1-2H3
InChIKeyLFDUMYYSRVMFPA-UHFFFAOYSA-N
XLogP-1.99
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride
CID 169438924
(2R,3R,4R,5S)-6-[methyl(propan-2-yl)amino]hexane-1,2,3,4,5-pentol
CID 58957788
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioate
CID 7059586
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;zinc
CID 88619828
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
CID 87266813
CID 87266813
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane?
The IUPAC name of 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane (CID 171505184) is 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane.
What is the SMILES notation for 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane?
The canonical SMILES for 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane is CC.CN(C)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane?
The InChIKey is LFDUMYYSRVMFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5.C2H6/c1-9(2)3-5(11)7(13)8(14)6(12)4-10;1-2/h5-8,10-14H,3-4H2,1-2H3;1-2H3.
What are the key properties of 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane?
6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane has a molecular weight of 239.31 g/mol, XLogP of -1.99, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane is sourced from PubChem (CID 171505184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).