alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium

C6H19AlN2O3P+ — CID 175027187

IUPACalumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium
SMILESCCCCO[P+](=O)ONCCN.[AlH3]
InChIInChI=1S/C6H16N2O3P.Al.3H/c1-2-3-6-10-12(9)11-8-5-4-7;;;;/h8H,2-7H2,1H3;;;;/q+1;;;;
InChIKeyAKJSAAOYPFVOII-UHFFFAOYSA-N
MW225.18 g/mol
LogP-0.24
Rot. Bonds8

About alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium

alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium (PubChem CID 175027187) has the molecular formula C6H19AlN2O3P+ and a molecular weight of 225.18 g/mol. Its IUPAC name is alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium.

Molecular Properties

Compound Namealumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium
PubChem CID175027187
Molecular FormulaC6H19AlN2O3P+
Molecular Weight225.18 g/mol
Exact Mass225.09
IUPAC Namealumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium
SMILESCCCCO[P+](=O)ONCCN.[AlH3]
InChIInChI=1S/C6H16N2O3P.Al.3H/c1-2-3-6-10-12(9)11-8-5-4-7;;;;/h8H,2-7H2,1H3;;;;/q+1;;;;
InChIKeyAKJSAAOYPFVOII-UHFFFAOYSA-N
XLogP-0.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-aminoethylamino)oxy-butoxy-oxophosphanium;copper
CID 175026416
[2-(2-aminoethylamino)ethylamino]oxy-(2-aminoethylamino)oxy-oxophosphanium
CID 175452910
butoxy-dodecoxy-oxophosphanium
CID 175103299
ethoxy-oxo-pentoxyphosphanium
CID 86182061
dihexadecoxy(oxo)phosphanium
CID 6336657
oxo(dipentoxy)phosphanium;zinc
CID 157360735
dioctadecoxy(oxo)phosphanium
CID 6327799
oxo-di(tetradecoxy)phosphanium;tetradecane
CID 88815459
dodecoxy-octoxy-oxophosphanium
CID 154187352
ethoxy-hexoxy-oxophosphanium
CID 6329155
dioctoxy(oxo)phosphanium;zinc
CID 175522796
3-[4-(2-butoxyethoxy)butoxy]propan-1-amine
CID 118457159

Frequently Asked Questions

What is the IUPAC name of alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium?
The IUPAC name of alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium (CID 175027187) is alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium.
What is the SMILES notation for alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium?
The canonical SMILES for alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium is CCCCO[P+](=O)ONCCN.[AlH3].
What is the InChIKey of alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium?
The InChIKey is AKJSAAOYPFVOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3P.Al.3H/c1-2-3-6-10-12(9)11-8-5-4-7;;;;/h8H,2-7H2,1H3;;;;/q+1;;;;.
What are the key properties of alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium?
alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium has a molecular weight of 225.18 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;(2-aminoethylamino)oxy-butoxy-oxophosphanium is sourced from PubChem (CID 175027187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).