alumane;(2-aminoethylamino)oxy-butylphosphinic acid

C6H20AlN2O3P — CID 175052605

IUPACalumane;(2-aminoethylamino)oxy-butylphosphinic acid
SMILESCCCCP(=O)(O)ONCCN.[AlH3]
InChIInChI=1S/C6H17N2O3P.Al.3H/c1-2-3-6-12(9,10)11-8-5-4-7;;;;/h8H,2-7H2,1H3,(H,9,10);;;;
InChIKeyQRPVVBDTYYSIKJ-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.73
Rot. Bonds7

About alumane;(2-aminoethylamino)oxy-butylphosphinic acid

alumane;(2-aminoethylamino)oxy-butylphosphinic acid (PubChem CID 175052605) has the molecular formula C6H20AlN2O3P and a molecular weight of 226.19 g/mol. Its IUPAC name is alumane;(2-aminoethylamino)oxy-butylphosphinic acid.

Molecular Properties

Compound Namealumane;(2-aminoethylamino)oxy-butylphosphinic acid
PubChem CID175052605
Molecular FormulaC6H20AlN2O3P
Molecular Weight226.19 g/mol
Exact Mass226.10
IUPAC Namealumane;(2-aminoethylamino)oxy-butylphosphinic acid
SMILESCCCCP(=O)(O)ONCCN.[AlH3]
InChIInChI=1S/C6H17N2O3P.Al.3H/c1-2-3-6-12(9,10)11-8-5-4-7;;;;/h8H,2-7H2,1H3,(H,9,10);;;;
InChIKeyQRPVVBDTYYSIKJ-UHFFFAOYSA-N
XLogP-0.73
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

potassium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 173094919
magnesium;[2-(2-aminoethylamino)ethylamino]oxy-pentylphosphinic acid;hydride
CID 175098110
sodium;[2-[2-(2-aminoethylamino)ethylamino]ethylamino]oxy-hexylphosphinic acid;hydride
CID 173095096
[2-(2-aminoethylamino)ethylamino]oxy-propylphosphinic acid
CID 175606321
N'-[2-[[[2-(2-aminoethylamino)ethylamino]oxy-butylphosphoryl]oxyamino]ethyl]ethane-1,2-diamine
CID 57234029
(2-aminoethylamino) dihydrogen phosphate;platinum
CID 175317533
alumane;tris(2-aminoethylamino) phosphate
CID 175212348
(2-aminoethylamino) 2-ethylhexanoate
CID 87853301
butyl(1,2-diaminoethoxy)phosphinic acid
CID 174844964
alumane;butyl(propyl)phosphinic acid
CID 174987333
N'-[butoxy-[ethoxy(ethyl)phosphoryl]phosphoryl]oxyethane-1,2-diamine
CID 175151410
sodium [2-(2-aminoethylamino)ethylamino]oxy-propylphosphinate
CID 175606320

Frequently Asked Questions

What is the IUPAC name of alumane;(2-aminoethylamino)oxy-butylphosphinic acid?
The IUPAC name of alumane;(2-aminoethylamino)oxy-butylphosphinic acid (CID 175052605) is alumane;(2-aminoethylamino)oxy-butylphosphinic acid.
What is the SMILES notation for alumane;(2-aminoethylamino)oxy-butylphosphinic acid?
The canonical SMILES for alumane;(2-aminoethylamino)oxy-butylphosphinic acid is CCCCP(=O)(O)ONCCN.[AlH3].
What is the InChIKey of alumane;(2-aminoethylamino)oxy-butylphosphinic acid?
The InChIKey is QRPVVBDTYYSIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N2O3P.Al.3H/c1-2-3-6-12(9,10)11-8-5-4-7;;;;/h8H,2-7H2,1H3,(H,9,10);;;;.
What are the key properties of alumane;(2-aminoethylamino)oxy-butylphosphinic acid?
alumane;(2-aminoethylamino)oxy-butylphosphinic acid has a molecular weight of 226.19 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;(2-aminoethylamino)oxy-butylphosphinic acid is sourced from PubChem (CID 175052605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).