N'-butylethanimidamide;5-ethyl-1H-imidazole

C11H22N4 — CID 157251840

IUPACN'-butylethanimidamide;5-ethyl-1H-imidazole
SMILESCCCC/N=C(\C)N.CCc1cnc[nH]1
InChIInChI=1S/C6H14N2.C5H8N2/c1-3-4-5-8-6(2)7;1-2-5-3-6-4-7-5/h3-5H2,1-2H3,(H2,7,8);3-4H,2H2,1H3,(H,6,7)
InChIKeyAWKYMQCELMUJQF-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.14
Rot. Bonds4

About N'-butylethanimidamide;5-ethyl-1H-imidazole

N'-butylethanimidamide;5-ethyl-1H-imidazole (PubChem CID 157251840) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-butylethanimidamide;5-ethyl-1H-imidazole.

Molecular Properties

Compound NameN'-butylethanimidamide;5-ethyl-1H-imidazole
PubChem CID157251840
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-butylethanimidamide;5-ethyl-1H-imidazole
SMILESCCCC/N=C(\C)N.CCc1cnc[nH]1
InChIInChI=1S/C6H14N2.C5H8N2/c1-3-4-5-8-6(2)7;1-2-5-3-6-4-7-5/h3-5H2,1-2H3,(H2,7,8);3-4H,2H2,1H3,(H,6,7)
InChIKeyAWKYMQCELMUJQF-UHFFFAOYSA-N
XLogP2.14
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;5-methyl-1H-imidazole;N'-propylethanimidamide
CID 159981336
5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786
5-hexyl-1H-imidazole
CID 14225142
N'-[(5S)-6,7-dihydroxy-7-(1H-imidazol-5-yl)-5-methylheptyl]ethanimidamide
CID 54486472
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
ethane;5-(ethoxymethyl)-1H-imidazole
CID 176980020
octyl 2-(1H-imidazol-5-yl)acetate
CID 25133039
ethyl formate;5-ethyl-1H-imidazole
CID 175286438
1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 104886521
butyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate;dihydrochloride
CID 68602935
pentyl 2-amino-3-(1H-imidazol-5-yl)propanoate
CID 61302323

Frequently Asked Questions

What is the IUPAC name of N'-butylethanimidamide;5-ethyl-1H-imidazole?
The IUPAC name of N'-butylethanimidamide;5-ethyl-1H-imidazole (CID 157251840) is N'-butylethanimidamide;5-ethyl-1H-imidazole.
What is the SMILES notation for N'-butylethanimidamide;5-ethyl-1H-imidazole?
The canonical SMILES for N'-butylethanimidamide;5-ethyl-1H-imidazole is CCCC/N=C(\C)N.CCc1cnc[nH]1.
What is the InChIKey of N'-butylethanimidamide;5-ethyl-1H-imidazole?
The InChIKey is AWKYMQCELMUJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C5H8N2/c1-3-4-5-8-6(2)7;1-2-5-3-6-4-7-5/h3-5H2,1-2H3,(H2,7,8);3-4H,2H2,1H3,(H,6,7).
What are the key properties of N'-butylethanimidamide;5-ethyl-1H-imidazole?
N'-butylethanimidamide;5-ethyl-1H-imidazole has a molecular weight of 210.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylethanimidamide;5-ethyl-1H-imidazole is sourced from PubChem (CID 157251840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).