2-[hexyl(oxido)amino]ethane-1,1-diol

C8H18NO3- — CID 139707310

IUPAC2-[hexyl(oxido)amino]ethane-1,1-diol
SMILESCCCCCCN([O-])CC(O)O
InChIInChI=1S/C8H18NO3/c1-2-3-4-5-6-9(12)7-8(10)11/h8,10-11H,2-7H2,1H3/q-1
InChIKeyXEXXIDFTOITZND-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.68
Rot. Bonds7

About 2-[hexyl(oxido)amino]ethane-1,1-diol

2-[hexyl(oxido)amino]ethane-1,1-diol (PubChem CID 139707310) has the molecular formula C8H18NO3- and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-[hexyl(oxido)amino]ethane-1,1-diol.

Molecular Properties

Compound Name2-[hexyl(oxido)amino]ethane-1,1-diol
PubChem CID139707310
Molecular FormulaC8H18NO3-
Molecular Weight176.24 g/mol
Exact Mass176.13
IUPAC Name2-[hexyl(oxido)amino]ethane-1,1-diol
SMILESCCCCCCN([O-])CC(O)O
InChIInChI=1S/C8H18NO3/c1-2-3-4-5-6-9(12)7-8(10)11/h8,10-11H,2-7H2,1H3/q-1
InChIKeyXEXXIDFTOITZND-UHFFFAOYSA-N
XLogP0.68
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dioctylamino)ethane-1,1-diol
CID 87744502
2-[icosyl(methyl)amino]ethane-1,1-diol
CID 141462336
2-[docosyl(ethyl)amino]ethane-1,1-diol
CID 175231954
N-oxido-N-propyloctan-1-amine
CID 140996116
2-[ethyl(octadecyl)amino]ethane-1,1-diol;hydrochloride
CID 173150184
2-[chloromethyl(octadecyl)amino]ethane-1,1-diol
CID 174867707
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
1-[methyl(octyl)amino]propan-2-ol
CID 62333367
N-methyl-N-oxidohexan-1-amine
CID 87985172
[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
CID 136756670
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776

Frequently Asked Questions

What is the IUPAC name of 2-[hexyl(oxido)amino]ethane-1,1-diol?
The IUPAC name of 2-[hexyl(oxido)amino]ethane-1,1-diol (CID 139707310) is 2-[hexyl(oxido)amino]ethane-1,1-diol.
What is the SMILES notation for 2-[hexyl(oxido)amino]ethane-1,1-diol?
The canonical SMILES for 2-[hexyl(oxido)amino]ethane-1,1-diol is CCCCCCN([O-])CC(O)O.
What is the InChIKey of 2-[hexyl(oxido)amino]ethane-1,1-diol?
The InChIKey is XEXXIDFTOITZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3/c1-2-3-4-5-6-9(12)7-8(10)11/h8,10-11H,2-7H2,1H3/q-1.
What are the key properties of 2-[hexyl(oxido)amino]ethane-1,1-diol?
2-[hexyl(oxido)amino]ethane-1,1-diol has a molecular weight of 176.24 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexyl(oxido)amino]ethane-1,1-diol is sourced from PubChem (CID 139707310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).