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

C8H19F3N4O2 — CID 56850458

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid
SMILESNCCNCCNCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H18N4.C2HF3O2/c7-1-3-9-5-6-10-4-2-8;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7)
InChIKeyZJGQPPSRRWJCKE-UHFFFAOYSA-N
MW260.26 g/mol
LogP-1.28
Rot. Bonds7

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

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid (PubChem CID 56850458) has the molecular formula C8H19F3N4O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid
PubChem CID56850458
Molecular FormulaC8H19F3N4O2
Molecular Weight260.26 g/mol
Exact Mass260.15
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid
SMILESNCCNCCNCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H18N4.C2HF3O2/c7-1-3-9-5-6-10-4-2-8;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7)
InChIKeyZJGQPPSRRWJCKE-UHFFFAOYSA-N
XLogP-1.28
TPSA113.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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;2,2,2-trifluoroacetic acid?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid (CID 56850458) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid is NCCNCCNCCN.O=C(O)C(F)(F)F.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
The InChIKey is ZJGQPPSRRWJCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C2HF3O2/c7-1-3-9-5-6-10-4-2-8;3-2(4,5)1(6)7/h9-10H,1-8H2;(H,6,7).
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid has a molecular weight of 260.26 g/mol, XLogP of -1.28, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 56850458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).