1-[2-hydroxybutyl(oxido)amino]butan-2-ol

C8H18NO3- — CID 88520164

IUPAC1-[2-hydroxybutyl(oxido)amino]butan-2-ol
SMILESCCC(O)CN([O-])CC(O)CC
InChIInChI=1S/C8H18NO3/c1-3-7(10)5-9(12)6-8(11)4-2/h7-8,10-11H,3-6H2,1-2H3/q-1
InChIKeyXZAKLDAJMNOKLA-UHFFFAOYSA-N
MW176.24 g/mol
LogP0.33
Rot. Bonds6

About 1-[2-hydroxybutyl(oxido)amino]butan-2-ol

1-[2-hydroxybutyl(oxido)amino]butan-2-ol (PubChem CID 88520164) has the molecular formula C8H18NO3- and a molecular weight of 176.24 g/mol. Its IUPAC name is 1-[2-hydroxybutyl(oxido)amino]butan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxybutyl(oxido)amino]butan-2-ol
PubChem CID88520164
Molecular FormulaC8H18NO3-
Molecular Weight176.24 g/mol
Exact Mass176.13
IUPAC Name1-[2-hydroxybutyl(oxido)amino]butan-2-ol
SMILESCCC(O)CN([O-])CC(O)CC
InChIInChI=1S/C8H18NO3/c1-3-7(10)5-9(12)6-8(11)4-2/h7-8,10-11H,3-6H2,1-2H3/q-1
InChIKeyXZAKLDAJMNOKLA-UHFFFAOYSA-N
XLogP0.33
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[Butyl(2-hydroxypropyl)amino]propan-2-ol
CID 588959
2-Propanol, 1,1'-(hydroxyimino)bis-
CID 21989178
2-Butanol, 1,1',1''-nitrilotris-
CID 17024
2-Butanol, 1-(dipropylamino)-
CID 3301252
1-Dibutylamino-2-butanol
CID 3301470
Bis(2-hydroxybutyl)nitrosamine
CID 60150
butane, 1-(N-ethyl-2-hydroxybutyl)amino-2-hydroxy-
CID 14340912
butane, 2-hydroxy-1-(2-hydroxypropyl-N-methyl)amino-
CID 14340914
butane, 2-hydroxy-1-(2-hydroxypropyl-N-propyl)amino-
CID 14340916
1-[(2-Hydroxybutyl)(methyl)amino]butan-2-ol
CID 14340926
butane, 2-hydroxy-1-(2-hydroxybutyl-N-propyl)amino-
CID 14340927
butane, 2-hydroxy-1-(2-hydroxyethyl-N-methyl)amino-
CID 23423697

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxybutyl(oxido)amino]butan-2-ol?
The IUPAC name of 1-[2-hydroxybutyl(oxido)amino]butan-2-ol (CID 88520164) is 1-[2-hydroxybutyl(oxido)amino]butan-2-ol.
What is the SMILES notation for 1-[2-hydroxybutyl(oxido)amino]butan-2-ol?
The canonical SMILES for 1-[2-hydroxybutyl(oxido)amino]butan-2-ol is CCC(O)CN([O-])CC(O)CC.
What is the InChIKey of 1-[2-hydroxybutyl(oxido)amino]butan-2-ol?
The InChIKey is XZAKLDAJMNOKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO3/c1-3-7(10)5-9(12)6-8(11)4-2/h7-8,10-11H,3-6H2,1-2H3/q-1.
What are the key properties of 1-[2-hydroxybutyl(oxido)amino]butan-2-ol?
1-[2-hydroxybutyl(oxido)amino]butan-2-ol has a molecular weight of 176.24 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxybutyl(oxido)amino]butan-2-ol is sourced from PubChem (CID 88520164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).