[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium

C6H14NO6P2-3 — CID 136707771

IUPAC[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
SMILESCCCCN(C[P+]([O-])([O-])[O-])C[P+]([O-])([O-])O
InChIInChI=1S/C6H17NO6P2/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)/p-3
InChIKeyVXYOTIXPEUMUSS-UHFFFAOYSA-K
MW258.13 g/mol
LogP-3.68
Rot. Bonds7

About [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium

[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium (PubChem CID 136707771) has the molecular formula C6H14NO6P2-3 and a molecular weight of 258.13 g/mol. Its IUPAC name is [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium.

Molecular Properties

Compound Name[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
PubChem CID136707771
Molecular FormulaC6H14NO6P2-3
Molecular Weight258.13 g/mol
Exact Mass258.03
IUPAC Name[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
SMILESCCCCN(C[P+]([O-])([O-])[O-])C[P+]([O-])([O-])O
InChIInChI=1S/C6H17NO6P2/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)/p-3
InChIKeyVXYOTIXPEUMUSS-UHFFFAOYSA-K
XLogP-3.68
TPSA138.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 5-3.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[heptyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium
CID 136756670
N,N-dibutylbutan-1-amine;hydrogen peroxide
CID 87070191
N,N-dibutylbutan-1-amine;molecular hydrogen
CID 174513596
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
1-(dibutylamino)undecan-2-ol
CID 101275149
3-(dibutylamino)-1,1,1-trifluoropropan-2-ol
CID 63901016
2-(dioctylamino)ethane-1,1-diol
CID 87744502
N,N-dibutylbutan-1-amine;tetrahydrate
CID 172865997
N,N-dibutylbutan-1-amine;trihydrate
CID 173345147
N,N,N',N'-tetrabutylethane-1,2-diamine
CID 5224972
boric acid;bis(N,N-dibutylbutan-1-amine)
CID 172841761
1-[bis(2-methylpropyl)amino]-3-(dibutylamino)propan-2-ol;tetrahydrochloride
CID 3040181

Frequently Asked Questions

What is the IUPAC name of [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
The IUPAC name of [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium (CID 136707771) is [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium.
What is the SMILES notation for [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
The canonical SMILES for [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium is CCCCN(C[P+]([O-])([O-])[O-])C[P+]([O-])([O-])O.
What is the InChIKey of [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
The InChIKey is VXYOTIXPEUMUSS-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H17NO6P2/c1-2-3-4-7(5-14(8,9)10)6-15(11,12)13/h2-6H2,1H3,(H2,8,9,10)(H2,11,12,13)/p-3.
What are the key properties of [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium?
[butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium has a molecular weight of 258.13 g/mol, XLogP of -3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-[[hydroxy(dioxido)phosphaniumyl]methyl]amino]methyl-trioxidophosphanium is sourced from PubChem (CID 136707771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).