N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid

C8H26N5O4P — CID 6455839

IUPACN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid
SMILESNCCNCCNCCNCCN.O=P(O)(O)O
InChIInChI=1S/C8H23N5.H3O4P/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-5(2,3)4/h11-13H,1-10H2;(H3,1,2,3,4)
InChIKeyKQFOOODAHPKPHF-UHFFFAOYSA-N
MW287.30 g/mol
LogP-3.26
Rot. Bonds10

About N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid (PubChem CID 6455839) has the molecular formula C8H26N5O4P and a molecular weight of 287.30 g/mol. Its IUPAC name is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid.

Molecular Properties

Compound NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid
PubChem CID6455839
Molecular FormulaC8H26N5O4P
Molecular Weight287.30 g/mol
Exact Mass287.17
IUPAC NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid
SMILESNCCNCCNCCNCCN.O=P(O)(O)O
InChIInChI=1S/C8H23N5.H3O4P/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-5(2,3)4/h11-13H,1-10H2;(H3,1,2,3,4)
InChIKeyKQFOOODAHPKPHF-UHFFFAOYSA-N
XLogP-3.26
TPSA165.89 Ų
H-Bond Donors8
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.30
LogP ≤ 5-3.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid?
The IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid (CID 6455839) is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid.
What is the SMILES notation for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid?
The canonical SMILES for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid is NCCNCCNCCNCCN.O=P(O)(O)O.
What is the InChIKey of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid?
The InChIKey is KQFOOODAHPKPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5.H3O4P/c9-1-3-11-5-7-13-8-6-12-4-2-10;1-5(2,3)4/h11-13H,1-10H2;(H3,1,2,3,4).
What are the key properties of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid?
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid has a molecular weight of 287.30 g/mol, XLogP of -3.26, 10 rotatable bonds, 8 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;phosphoric acid is sourced from PubChem (CID 6455839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).