2-(2-aminoethylamino)ethyl-trioxidophosphanium

C4H11N2O3P-2 — CID 101174409

IUPAC2-(2-aminoethylamino)ethyl-trioxidophosphanium
SMILESNCCNCC[P+]([O-])([O-])[O-]
InChIInChI=1S/C4H13N2O3P/c5-1-2-6-3-4-10(7,8)9/h6H,1-5H2,(H2,7,8,9)/p-2
InChIKeyDDOJGXVUFMXNKA-UHFFFAOYSA-L
MW166.12 g/mol
LogP-3.62
Rot. Bonds5

About 2-(2-aminoethylamino)ethyl-trioxidophosphanium

2-(2-aminoethylamino)ethyl-trioxidophosphanium (PubChem CID 101174409) has the molecular formula C4H11N2O3P-2 and a molecular weight of 166.12 g/mol. Its IUPAC name is 2-(2-aminoethylamino)ethyl-trioxidophosphanium.

Molecular Properties

Compound Name2-(2-aminoethylamino)ethyl-trioxidophosphanium
PubChem CID101174409
Molecular FormulaC4H11N2O3P-2
Molecular Weight166.12 g/mol
Exact Mass166.05
IUPAC Name2-(2-aminoethylamino)ethyl-trioxidophosphanium
SMILESNCCNCC[P+]([O-])([O-])[O-]
InChIInChI=1S/C4H13N2O3P/c5-1-2-6-3-4-10(7,8)9/h6H,1-5H2,(H2,7,8,9)/p-2
InChIKeyDDOJGXVUFMXNKA-UHFFFAOYSA-L
XLogP-3.62
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 5-3.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-(3,4-dimethylpentyl)ethane-1,2-diamine
CID 156651247
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
dodecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;tetraborate
CID 159570968
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
4-(2-aminoethylamino)butane-1,1-diol
CID 87239429
pentadecasodium;N'-(2-aminoethyl)ethane-1,2-diamine;pentaphosphate
CID 175158292
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903
N'-(2-fluoroethyl)ethane-1,2-diamine
CID 80696987

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)ethyl-trioxidophosphanium?
The IUPAC name of 2-(2-aminoethylamino)ethyl-trioxidophosphanium (CID 101174409) is 2-(2-aminoethylamino)ethyl-trioxidophosphanium.
What is the SMILES notation for 2-(2-aminoethylamino)ethyl-trioxidophosphanium?
The canonical SMILES for 2-(2-aminoethylamino)ethyl-trioxidophosphanium is NCCNCC[P+]([O-])([O-])[O-].
What is the InChIKey of 2-(2-aminoethylamino)ethyl-trioxidophosphanium?
The InChIKey is DDOJGXVUFMXNKA-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H13N2O3P/c5-1-2-6-3-4-10(7,8)9/h6H,1-5H2,(H2,7,8,9)/p-2.
What are the key properties of 2-(2-aminoethylamino)ethyl-trioxidophosphanium?
2-(2-aminoethylamino)ethyl-trioxidophosphanium has a molecular weight of 166.12 g/mol, XLogP of -3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)ethyl-trioxidophosphanium is sourced from PubChem (CID 101174409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).