5-[(3-ethylimidazol-4-yl)methylamino]pentanamide

C11H20N4O — CID 106233413

IUPAC5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
SMILESCCn1cncc1CNCCCCC(N)=O
InChIInChI=1S/C11H20N4O/c1-2-15-9-14-8-10(15)7-13-6-4-3-5-11(12)16/h8-9,13H,2-7H2,1H3,(H2,12,16)
InChIKeyAQYYBRYXTGZRAF-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds8

About 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide

5-[(3-ethylimidazol-4-yl)methylamino]pentanamide (PubChem CID 106233413) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
PubChem CID106233413
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
SMILESCCn1cncc1CNCCCCC(N)=O
InChIInChI=1S/C11H20N4O/c1-2-15-9-14-8-10(15)7-13-6-4-3-5-11(12)16/h8-9,13H,2-7H2,1H3,(H2,12,16)
InChIKeyAQYYBRYXTGZRAF-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
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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Related Compounds

N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
3-[[(2-Cyclopropylacetyl)amino]methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97467200
N-[(7-acetyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]cyclobutanecarboxamide
CID 97467211
N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
2-(1-Acetylpiperidin-4-YL)-N-[2-(5-methyl-1-propyl-1H-imidazol-2-YL)ethyl]acetamide
CID 91911723
2-(1-acetyl-4-piperidyl)-N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91911725
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]acetamide
CID 110203796
N-[2-(1-cyclohexyl-5-methylimidazol-2-yl)ethyl]acetamide
CID 110203800
N-[2-(1-cycloheptyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203801
N-[2-(5-Methyl-1-propyl-1H-imidazol-2-YL)ethyl]cyclobutanecarboxamide
CID 124078803
N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 24284602

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide?
The IUPAC name of 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide (CID 106233413) is 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide is CCn1cncc1CNCCCCC(N)=O.
What is the InChIKey of 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide?
The InChIKey is AQYYBRYXTGZRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-15-9-14-8-10(15)7-13-6-4-3-5-11(12)16/h8-9,13H,2-7H2,1H3,(H2,12,16).
What are the key properties of 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide?
5-[(3-ethylimidazol-4-yl)methylamino]pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylimidazol-4-yl)methylamino]pentanamide is sourced from PubChem (CID 106233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).