N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide

C15H34N8O — CID 59846977

IUPACN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide
SMILESNCCNCCNCCNC(=O)CC1=NCCN1CCNCCN
InChIInChI=1S/C15H34N8O/c16-1-3-18-5-6-20-7-8-22-15(24)13-14-21-10-12-23(14)11-9-19-4-2-17/h18-20H,1-13,16-17H2,(H,22,24)
InChIKeyKCVFSQZSBRURHG-UHFFFAOYSA-N
MW342.49 g/mol
LogP-3.11
Rot. Bonds15

About N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide

N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide (PubChem CID 59846977) has the molecular formula C15H34N8O and a molecular weight of 342.49 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide
PubChem CID59846977
Molecular FormulaC15H34N8O
Molecular Weight342.49 g/mol
Exact Mass342.29
IUPAC NameN-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide
SMILESNCCNCCNCCNC(=O)CC1=NCCN1CCNCCN
InChIInChI=1S/C15H34N8O/c16-1-3-18-5-6-20-7-8-22-15(24)13-14-21-10-12-23(14)11-9-19-4-2-17/h18-20H,1-13,16-17H2,(H,22,24)
InChIKeyKCVFSQZSBRURHG-UHFFFAOYSA-N
XLogP-3.11
TPSA132.83 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 5-3.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide?
The IUPAC name of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide (CID 59846977) is N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide.
What is the SMILES notation for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide?
The canonical SMILES for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide is NCCNCCNCCNC(=O)CC1=NCCN1CCNCCN.
What is the InChIKey of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide?
The InChIKey is KCVFSQZSBRURHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N8O/c16-1-3-18-5-6-20-7-8-22-15(24)13-14-21-10-12-23(14)11-9-19-4-2-17/h18-20H,1-13,16-17H2,(H,22,24).
What are the key properties of N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide?
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide has a molecular weight of 342.49 g/mol, XLogP of -3.11, 15 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]-2-[1-[2-(2-aminoethylamino)ethyl]-4,5-dihydroimidazol-2-yl]acetamide is sourced from PubChem (CID 59846977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).