1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine

C8H16N6 — CID 104886521

IUPAC1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cnc[nH]1)NN
InChIInChI=1S/C8H16N6/c1-2-11-8(14-9)12-4-3-7-5-10-6-13-7/h5-6H,2-4,9H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyIWXOSDNDANEFGB-UHFFFAOYSA-N
MW196.26 g/mol
LogP-0.62
Rot. Bonds4

About 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine

1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine (PubChem CID 104886521) has the molecular formula C8H16N6 and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
PubChem CID104886521
Molecular FormulaC8H16N6
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1cnc[nH]1)NN
InChIInChI=1S/C8H16N6/c1-2-11-8(14-9)12-4-3-7-5-10-6-13-7/h5-6H,2-4,9H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyIWXOSDNDANEFGB-UHFFFAOYSA-N
XLogP-0.62
TPSA91.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(3-ethoxypropyl)-2-(1H-imidazol-5-ylmethyl)guanidine
CID 104887166
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
1-amino-3-ethyl-2-(2-phenylethyl)guanidine
CID 116512277
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
1-amino-2-(1H-imidazol-5-ylmethyl)-3-(3-methoxypropyl)guanidine
CID 104887169
2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
CID 10331400
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine
CID 91512391
1-[3-(1H-imidazol-5-yl)propyl]-2-methylguanidine
CID 13499387
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-amino-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885802

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
The IUPAC name of 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine (CID 104886521) is 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine is CCN/C(=N\CCc1cnc[nH]1)NN.
What is the InChIKey of 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
The InChIKey is IWXOSDNDANEFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6/c1-2-11-8(14-9)12-4-3-7-5-10-6-13-7/h5-6H,2-4,9H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine?
1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine has a molecular weight of 196.26 g/mol, XLogP of -0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine is sourced from PubChem (CID 104886521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).