3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide

C12H28N6O2 — CID 22621409

IUPAC3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide
SMILESNCCNCCNCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C12H28N6O2/c13-3-4-16-5-6-17-7-10-18(8-1-11(14)19)9-2-12(15)20/h16-17H,1-10,13H2,(H2,14,19)(H2,15,20)
InChIKeyMWBJZCHEZSNRJO-UHFFFAOYSA-N
MW288.40 g/mol
LogP-2.82
Rot. Bonds14

About 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide

3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide (PubChem CID 22621409) has the molecular formula C12H28N6O2 and a molecular weight of 288.40 g/mol. Its IUPAC name is 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide.

Molecular Properties

Compound Name3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide
PubChem CID22621409
Molecular FormulaC12H28N6O2
Molecular Weight288.40 g/mol
Exact Mass288.23
IUPAC Name3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide
SMILESNCCNCCNCCN(CCC(N)=O)CCC(N)=O
InChIInChI=1S/C12H28N6O2/c13-3-4-16-5-6-17-7-10-18(8-1-11(14)19)9-2-12(15)20/h16-17H,1-10,13H2,(H2,14,19)(H2,15,20)
InChIKeyMWBJZCHEZSNRJO-UHFFFAOYSA-N
XLogP-2.82
TPSA139.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 5-2.82
H-Bond Donors ≤ 55
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 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide?
The IUPAC name of 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide (CID 22621409) is 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide.
What is the SMILES notation for 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide?
The canonical SMILES for 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide is NCCNCCNCCN(CCC(N)=O)CCC(N)=O.
What is the InChIKey of 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide?
The InChIKey is MWBJZCHEZSNRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N6O2/c13-3-4-16-5-6-17-7-10-18(8-1-11(14)19)9-2-12(15)20/h16-17H,1-10,13H2,(H2,14,19)(H2,15,20).
What are the key properties of 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide?
3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide has a molecular weight of 288.40 g/mol, XLogP of -2.82, 14 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-aminoethylamino)ethylamino]ethyl-(3-amino-3-oxopropyl)amino]propanamide is sourced from PubChem (CID 22621409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).