N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide

C11H20N4O — CID 115615526

IUPACN-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNCc1cnc[nH]1
InChIInChI=1S/C11H20N4O/c1-11(2,3)10(16)14-5-4-12-6-9-7-13-8-15-9/h7-8,12H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFQZCWMZSADANOH-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.66
Rot. Bonds5

About N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide

N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide (PubChem CID 115615526) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
PubChem CID115615526
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNCc1cnc[nH]1
InChIInChI=1S/C11H20N4O/c1-11(2,3)10(16)14-5-4-12-6-9-7-13-8-15-9/h7-8,12H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyFQZCWMZSADANOH-UHFFFAOYSA-N
XLogP0.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
N-(1H-imidazol-5-ylmethyl)-2-methylsulfonylethanamine
CID 62761589
2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115690231
3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115639457
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
methyl 2-(1H-imidazol-5-ylmethylamino)-2-methylpropanoate
CID 62761936
2-(1H-imidazol-5-ylmethylamino)-N-methylethanesulfonamide
CID 102674753
2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
CID 59900869
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
N-(1H-imidazol-5-ylmethyl)pyrimidine-5-carboxamide
CID 104628648

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide (CID 115615526) is N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is FQZCWMZSADANOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(2,3)10(16)14-5-4-12-6-9-7-13-8-15-9/h7-8,12H,4-6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide?
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 224.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115615526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).