amino(ethylamino)phosphinic acid;hexane

C8H23N2O2P — CID 87856928

IUPACamino(ethylamino)phosphinic acid;hexane
SMILESCCCCCC.CCNP(N)(=O)O
InChIInChI=1S/C6H14.C2H9N2O2P/c1-3-5-6-4-2;1-2-4-7(3,5)6/h3-6H2,1-2H3;2H2,1H3,(H4,3,4,5,6)
InChIKeyVDYKVUDZOWHVAY-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.24
Rot. Bonds5

About amino(ethylamino)phosphinic acid;hexane

amino(ethylamino)phosphinic acid;hexane (PubChem CID 87856928) has the molecular formula C8H23N2O2P and a molecular weight of 210.26 g/mol. Its IUPAC name is amino(ethylamino)phosphinic acid;hexane.

Molecular Properties

Compound Nameamino(ethylamino)phosphinic acid;hexane
PubChem CID87856928
Molecular FormulaC8H23N2O2P
Molecular Weight210.26 g/mol
Exact Mass210.15
IUPAC Nameamino(ethylamino)phosphinic acid;hexane
SMILESCCCCCC.CCNP(N)(=O)O
InChIInChI=1S/C6H14.C2H9N2O2P/c1-3-5-6-4-2;1-2-4-7(3,5)6/h3-6H2,1-2H3;2H2,1H3,(H4,3,4,5,6)
InChIKeyVDYKVUDZOWHVAY-UHFFFAOYSA-N
XLogP2.24
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

dodecane;phosphoric acid
CID 88801558
aminophosphonic acid;dodecan-1-ol
CID 174506019
ethane;henicosane;phosphoric acid;hydrate
CID 173085892
methane;pentadecane;phosphoric acid;hydrate
CID 173085689
fluorophosphonic acid;hexane;hydrobromide
CID 175894647
propylphosphonamidic acid
CID 22250964
CID 175738153
CID 175738153
tris(hexadecan-1-amine);phosphoric acid
CID 173300602
hexan-1-amine;phosphoric acid
CID 173003303
N-[butyl(ethylamino)phosphoryl]propan-1-amine
CID 123972453
docosane;ethane;henicosane;methane;phosphoric acid;dihydrate
CID 173171736
cyclohexane;phosphoric acid;bis(tetradecane)
CID 175142531

Frequently Asked Questions

What is the IUPAC name of amino(ethylamino)phosphinic acid;hexane?
The IUPAC name of amino(ethylamino)phosphinic acid;hexane (CID 87856928) is amino(ethylamino)phosphinic acid;hexane.
What is the SMILES notation for amino(ethylamino)phosphinic acid;hexane?
The canonical SMILES for amino(ethylamino)phosphinic acid;hexane is CCCCCC.CCNP(N)(=O)O.
What is the InChIKey of amino(ethylamino)phosphinic acid;hexane?
The InChIKey is VDYKVUDZOWHVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H9N2O2P/c1-3-5-6-4-2;1-2-4-7(3,5)6/h3-6H2,1-2H3;2H2,1H3,(H4,3,4,5,6).
What are the key properties of amino(ethylamino)phosphinic acid;hexane?
amino(ethylamino)phosphinic acid;hexane has a molecular weight of 210.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(ethylamino)phosphinic acid;hexane is sourced from PubChem (CID 87856928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).