6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol

C18H39NO5 — CID 72549336

IUPAC6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCN(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C18H39NO5/c1-3-4-5-6-7-8-9-10-11-12-19(2)13-15(21)17(23)18(24)16(22)14-20/h15-18,20-24H,3-14H2,1-2H3
InChIKeyPSOCUDPSWNBOHL-UHFFFAOYSA-N
MW349.51 g/mol
LogP0.88
Rot. Bonds16

About 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol

6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol (PubChem CID 72549336) has the molecular formula C18H39NO5 and a molecular weight of 349.51 g/mol. Its IUPAC name is 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol
PubChem CID72549336
Molecular FormulaC18H39NO5
Molecular Weight349.51 g/mol
Exact Mass349.28
IUPAC Name6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCN(C)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C18H39NO5/c1-3-4-5-6-7-8-9-10-11-12-19(2)13-15(21)17(23)18(24)16(22)14-20/h15-18,20-24H,3-14H2,1-2H3
InChIKeyPSOCUDPSWNBOHL-UHFFFAOYSA-N
XLogP0.88
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.51
LogP ≤ 50.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,5R)-6-[heptadecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10478004
(2R,3S,4R,5R)-6-[dodecyl(methyl)amino]hexane-1,2,3,4,5-pentol
CID 10316673
(2R,3R,4R,5S)-6-[octadecyl-[6-[octadecyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]hexyl]amino]hexane-1,2,3,4,5-pentol
CID 101236123
hexane;hexane-1,2,3,4,5,6-hexol
CID 88787528
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
sodium N-octyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioate
CID 102527026
hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
CID 174529828
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]dodecanamide
CID 95566091
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-methyl-N-octadecylhexanamide
CID 15143245
N-methyl-N-(2,3,4,5,6-pentahydroxyhexyl)heptanamide
CID 3634985

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol?
The IUPAC name of 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol (CID 72549336) is 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol.
What is the SMILES notation for 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol?
The canonical SMILES for 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol is CCCCCCCCCCCN(C)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol?
The InChIKey is PSOCUDPSWNBOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO5/c1-3-4-5-6-7-8-9-10-11-12-19(2)13-15(21)17(23)18(24)16(22)14-20/h15-18,20-24H,3-14H2,1-2H3.
What are the key properties of 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol?
6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol has a molecular weight of 349.51 g/mol, XLogP of 0.88, 16 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(undecyl)amino]hexane-1,2,3,4,5-pentol is sourced from PubChem (CID 72549336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).