N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide

C8H20N4O — CID 10313446

IUPACN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCNCCN
InChIInChI=1S/C8H20N4O/c1-8(13)12-7-6-11-5-4-10-3-2-9/h10-11H,2-7,9H2,1H3,(H,12,13)
InChIKeyGMXQUOKWLVCFEG-UHFFFAOYSA-N
MW188.27 g/mol
LogP-1.74
Rot. Bonds8

About N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide (PubChem CID 10313446) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide
PubChem CID10313446
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCNCCN
InChIInChI=1S/C8H20N4O/c1-8(13)12-7-6-11-5-4-10-3-2-9/h10-11H,2-7,9H2,1H3,(H,12,13)
InChIKeyGMXQUOKWLVCFEG-UHFFFAOYSA-N
XLogP-1.74
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(2-aminoethylamino)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide (CID 10313446) is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide is CC(=O)NCCNCCNCCN.
What is the InChIKey of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide?
The InChIKey is GMXQUOKWLVCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-8(13)12-7-6-11-5-4-10-3-2-9/h10-11H,2-7,9H2,1H3,(H,12,13).
What are the key properties of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide?
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide has a molecular weight of 188.27 g/mol, XLogP of -1.74, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]acetamide is sourced from PubChem (CID 10313446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).