6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol

C18H40N2O8 — CID 171850614

IUPAC6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol
SMILESCNCCOCCOCCOCCOCCN(C)CC(O)C(O)C(O)CCO
InChIInChI=1S/C18H40N2O8/c1-19-4-7-25-9-11-27-13-14-28-12-10-26-8-5-20(2)15-17(23)18(24)16(22)3-6-21/h16-19,21-24H,3-15H2,1-2H3
InChIKeyFBWMNYSWMNCABN-UHFFFAOYSA-N
MW412.52 g/mol
LogP-2.33
Rot. Bonds21

About 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol

6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol (PubChem CID 171850614) has the molecular formula C18H40N2O8 and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol.

Molecular Properties

Compound Name6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol
PubChem CID171850614
Molecular FormulaC18H40N2O8
Molecular Weight412.52 g/mol
Exact Mass412.28
IUPAC Name6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol
SMILESCNCCOCCOCCOCCOCCN(C)CC(O)C(O)C(O)CCO
InChIInChI=1S/C18H40N2O8/c1-19-4-7-25-9-11-27-13-14-28-12-10-26-8-5-20(2)15-17(23)18(24)16(22)3-6-21/h16-19,21-24H,3-15H2,1-2H3
InChIKeyFBWMNYSWMNCABN-UHFFFAOYSA-N
XLogP-2.33
TPSA133.11 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
CID 171850612
2-[[2-[2-[2-[2-[2-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]amino]-N-methylacetamide;methanol
CID 171850616
(2R,3R,4R,5S)-6-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,2,3,4,5-pentol
CID 171850569
(2R,3R,4R,5S)-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-methylamino]hexane-1,2,3,4,5-pentol
CID 171850501
bis(2-(dimethylamino)-N-methyl-N-(2-oxoethyl)acetamide);fermium;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol;2-[methyl(oxomethyl)amino]acetaldehyde
CID 176959915
2-[2-[2-[2-(dimethylamino)ethoxy]ethyl-methylamino]ethoxy]-N-methylethanamine
CID 90874873
3-[2-[2-[2-[2-[2-[2-[bis(2,3,4,6-tetrahydroxyhexyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 171541647
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]oxidanium
CID 177177426
N-[2-[ethyl(methyl)amino]-2-oxoethyl]-N-methyl-2-[methyl(oxomethyl)amino]acetamide;fermium;2-[formyl(methyl)amino]-N-methyl-N-(2-oxoethyl)acetamide;methanol;6-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-(2,3,4,6-tetrahydroxyhexyl)amino]hexane-1,3,4,5-tetrol
CID 171850451
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
2-[2-[2-[2-(dimethylaminooxy)ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 171530208
N,N-bis[2-[bis[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 167299366

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol?
The IUPAC name of 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol (CID 171850614) is 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol.
What is the SMILES notation for 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol?
The canonical SMILES for 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol is CNCCOCCOCCOCCOCCN(C)CC(O)C(O)C(O)CCO.
What is the InChIKey of 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol?
The InChIKey is FBWMNYSWMNCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O8/c1-19-4-7-25-9-11-27-13-14-28-12-10-26-8-5-20(2)15-17(23)18(24)16(22)3-6-21/h16-19,21-24H,3-15H2,1-2H3.
What are the key properties of 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol?
6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol has a molecular weight of 412.52 g/mol, XLogP of -2.33, 21 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hexane-1,3,4,5-tetrol is sourced from PubChem (CID 171850614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).