N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide

C10H18N4 — CID 65236768

IUPACN'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/CCc1cnc[nH]1
InChIInChI=1S/C10H18N4/c1-10(2,3)9(11)13-5-4-8-6-12-7-14-8/h6-7H,4-5H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyLLKVMEJPYQJQHA-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.36
Rot. Bonds3

About N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide

N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide (PubChem CID 65236768) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
PubChem CID65236768
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(N)=N/CCc1cnc[nH]1
InChIInChI=1S/C10H18N4/c1-10(2,3)9(11)13-5-4-8-6-12-7-14-8/h6-7H,4-5H2,1-3H3,(H2,11,13)(H,12,14)
InChIKeyLLKVMEJPYQJQHA-UHFFFAOYSA-N
XLogP1.36
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 104886521
2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine
CID 91512391
2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
CID 10331400
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
hydroxy-[4-(1H-imidazol-5-yl)-2-methylbutan-2-yl]-dimethylsilane
CID 71167987
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
1-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]urea
CID 45120901
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide?
The IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide (CID 65236768) is N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide.
What is the SMILES notation for N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide?
The canonical SMILES for N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide is CC(C)(C)/C(N)=N/CCc1cnc[nH]1.
What is the InChIKey of N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide?
The InChIKey is LLKVMEJPYQJQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-10(2,3)9(11)13-5-4-8-6-12-7-14-8/h6-7H,4-5H2,1-3H3,(H2,11,13)(H,12,14).
What are the key properties of N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide?
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide has a molecular weight of 194.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide is sourced from PubChem (CID 65236768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).