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

C14H24N4O4 — CID 6455788

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid
SMILESNCCNCCNCCN.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C6H18N4/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-1-3-9-5-6-10-4-2-8/h1-4H,(H,9,10)(H,11,12);9-10H,1-8H2
InChIKeyOYFGMZMOWNKEEH-UHFFFAOYSA-N
MW312.37 g/mol
LogP-0.83
Rot. Bonds9

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

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid (PubChem CID 6455788) has the molecular formula C14H24N4O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid
PubChem CID6455788
Molecular FormulaC14H24N4O4
Molecular Weight312.37 g/mol
Exact Mass312.18
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid
SMILESNCCNCCNCCN.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C6H18N4/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-1-3-9-5-6-10-4-2-8/h1-4H,(H,9,10)(H,11,12);9-10H,1-8H2
InChIKeyOYFGMZMOWNKEEH-UHFFFAOYSA-N
XLogP-0.83
TPSA150.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 5-0.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid (CID 6455788) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid is NCCNCCNCCN.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid?
The InChIKey is OYFGMZMOWNKEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C6H18N4/c9-7(10)5-1-2-6(4-3-5)8(11)12;7-1-3-9-5-6-10-4-2-8/h1-4H,(H,9,10)(H,11,12);9-10H,1-8H2.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid has a molecular weight of 312.37 g/mol, XLogP of -0.83, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;terephthalic acid is sourced from PubChem (CID 6455788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).