N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione

C12H25N5O3 — CID 175397001

IUPACN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione
SMILESNCCNCCNCCNCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C8H23N5.C4H2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10;5-3-1-2-4(6)7-3/h11-13H,1-10H2;1-2H
InChIKeyAXFKJGZTNHHVCQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP-2.70
Rot. Bonds10

About N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione

N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione (PubChem CID 175397001) has the molecular formula C12H25N5O3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione.

Molecular Properties

Compound NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione
PubChem CID175397001
Molecular FormulaC12H25N5O3
Molecular Weight287.36 g/mol
Exact Mass287.20
IUPAC NameN'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione
SMILESNCCNCCNCCNCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C8H23N5.C4H2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10;5-3-1-2-4(6)7-3/h11-13H,1-10H2;1-2H
InChIKeyAXFKJGZTNHHVCQ-UHFFFAOYSA-N
XLogP-2.70
TPSA131.50 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-2.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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;furan-2,5-dione?
The IUPAC name of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione (CID 175397001) is N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione.
What is the SMILES notation for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione?
The canonical SMILES for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione is NCCNCCNCCNCCN.O=C1C=CC(=O)O1.
What is the InChIKey of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione?
The InChIKey is AXFKJGZTNHHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H23N5.C4H2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10;5-3-1-2-4(6)7-3/h11-13H,1-10H2;1-2H.
What are the key properties of N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione?
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione has a molecular weight of 287.36 g/mol, XLogP of -2.70, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;furan-2,5-dione is sourced from PubChem (CID 175397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).