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

C10H20N4O3 — CID 161401430

IUPACN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione
SMILESNCCNCCNCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C6H18N4.C4H2O3/c7-1-3-9-5-6-10-4-2-8;5-3-1-2-4(6)7-3/h9-10H,1-8H2;1-2H
InChIKeyVUHCQBUAAGIIAE-UHFFFAOYSA-N
MW244.29 g/mol
LogP-2.29
Rot. Bonds7

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

N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione (PubChem CID 161401430) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione.

Molecular Properties

Compound NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione
PubChem CID161401430
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione
SMILESNCCNCCNCCN.O=C1C=CC(=O)O1
InChIInChI=1S/C6H18N4.C4H2O3/c7-1-3-9-5-6-10-4-2-8;5-3-1-2-4(6)7-3/h9-10H,1-8H2;1-2H
InChIKeyVUHCQBUAAGIIAE-UHFFFAOYSA-N
XLogP-2.29
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione?
The IUPAC name of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione (CID 161401430) is N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione.
What is the SMILES notation for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione?
The canonical SMILES for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione is NCCNCCNCCN.O=C1C=CC(=O)O1.
What is the InChIKey of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione?
The InChIKey is VUHCQBUAAGIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4.C4H2O3/c7-1-3-9-5-6-10-4-2-8;5-3-1-2-4(6)7-3/h9-10H,1-8H2;1-2H.
What are the key properties of N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione?
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione has a molecular weight of 244.29 g/mol, XLogP of -2.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;furan-2,5-dione is sourced from PubChem (CID 161401430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).