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

C10H20N4O — CID 138712073

IUPACN-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCN1CCN=C1C
InChIInChI=1S/C10H20N4O/c1-9-12-6-8-14(9)7-5-11-3-4-13-10(2)15/h11H,3-8H2,1-2H3,(H,13,15)
InChIKeyYKQCWLSICXULLF-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.55
Rot. Bonds6

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

N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide (PubChem CID 138712073) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide
PubChem CID138712073
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide
SMILESCC(=O)NCCNCCN1CCN=C1C
InChIInChI=1S/C10H20N4O/c1-9-12-6-8-14(9)7-5-11-3-4-13-10(2)15/h11H,3-8H2,1-2H3,(H,13,15)
InChIKeyYKQCWLSICXULLF-UHFFFAOYSA-N
XLogP-0.55
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
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-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide (CID 138712073) is N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide is CC(=O)NCCNCCN1CCN=C1C.
What is the InChIKey of N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide?
The InChIKey is YKQCWLSICXULLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-9-12-6-8-14(9)7-5-11-3-4-13-10(2)15/h11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide?
N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide has a molecular weight of 212.30 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methyl-4,5-dihydroimidazol-1-yl)ethylamino]ethyl]acetamide is sourced from PubChem (CID 138712073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).