[butyl(hydroxy)amino]methanetriol

C5H13NO4 — CID 91390191

IUPAC[butyl(hydroxy)amino]methanetriol
SMILESCCCCN(O)C(O)(O)O
InChIInChI=1S/C5H13NO4/c1-2-3-4-6(10)5(7,8)9/h7-10H,2-4H2,1H3
InChIKeyJALZULPEMSFHIE-UHFFFAOYSA-N
MW151.16 g/mol
LogP-0.93
Rot. Bonds4

About [butyl(hydroxy)amino]methanetriol

[butyl(hydroxy)amino]methanetriol (PubChem CID 91390191) has the molecular formula C5H13NO4 and a molecular weight of 151.16 g/mol. Its IUPAC name is [butyl(hydroxy)amino]methanetriol.

Molecular Properties

Compound Name[butyl(hydroxy)amino]methanetriol
PubChem CID91390191
Molecular FormulaC5H13NO4
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name[butyl(hydroxy)amino]methanetriol
SMILESCCCCN(O)C(O)(O)O
InChIInChI=1S/C5H13NO4/c1-2-3-4-6(10)5(7,8)9/h7-10H,2-4H2,1H3
InChIKeyJALZULPEMSFHIE-UHFFFAOYSA-N
XLogP-0.93
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
4-(dibutylamino)-2-methylbutan-2-ol
CID 79361308
5-(dibutylamino)-2-methylpentan-2-ol
CID 18944366
2-[butyl(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 156729767
2-(hydroxymethyl)-2-[2,2,2-tris(dibutylamino)ethyl]propane-1,3-diol
CID 175722962
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
N-methyl-N-nonadecylhydroxylamine
CID 87390757
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147

Frequently Asked Questions

What is the IUPAC name of [butyl(hydroxy)amino]methanetriol?
The IUPAC name of [butyl(hydroxy)amino]methanetriol (CID 91390191) is [butyl(hydroxy)amino]methanetriol.
What is the SMILES notation for [butyl(hydroxy)amino]methanetriol?
The canonical SMILES for [butyl(hydroxy)amino]methanetriol is CCCCN(O)C(O)(O)O.
What is the InChIKey of [butyl(hydroxy)amino]methanetriol?
The InChIKey is JALZULPEMSFHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4/c1-2-3-4-6(10)5(7,8)9/h7-10H,2-4H2,1H3.
What are the key properties of [butyl(hydroxy)amino]methanetriol?
[butyl(hydroxy)amino]methanetriol has a molecular weight of 151.16 g/mol, XLogP of -0.93, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(hydroxy)amino]methanetriol is sourced from PubChem (CID 91390191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).