N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide

C10H18N4 — CID 63177420

IUPACN'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1nccn1C
InChIInChI=1S/C10H18N4/c1-3-4-9(11)12-6-5-10-13-7-8-14(10)2/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMGDDFJPNBRAUHI-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.12
Rot. Bonds5

About N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide

N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide (PubChem CID 63177420) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide.

Molecular Properties

Compound NameN'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide
PubChem CID63177420
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide
SMILESCCC/C(N)=N\CCc1nccn1C
InChIInChI=1S/C10H18N4/c1-3-4-9(11)12-6-5-10-13-7-8-14(10)2/h7-8H,3-6H2,1-2H3,(H2,11,12)
InChIKeyMGDDFJPNBRAUHI-UHFFFAOYSA-N
XLogP1.12
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N'-[(1-methylimidazol-2-yl)methyl]propanimidamide
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1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-(1-methylimidazol-2-yl)heptan-4-one
CID 79761318
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
1-amino-2-butyl-3-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 116514693
2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide?
The IUPAC name of N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide (CID 63177420) is N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide.
What is the SMILES notation for N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide?
The canonical SMILES for N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide is CCC/C(N)=N\CCc1nccn1C.
What is the InChIKey of N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide?
The InChIKey is MGDDFJPNBRAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-4-9(11)12-6-5-10-13-7-8-14(10)2/h7-8H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide?
N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide is sourced from PubChem (CID 63177420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).