2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine

C10H19N5 — CID 111030780

IUPAC2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCn1ccnc1)N(C)C
InChIInChI=1S/C10H19N5/c1-13(2)10(14(3)4)12-6-8-15-7-5-11-9-15/h5,7,9H,6,8H2,1-4H3
InChIKeyHUABORCMYPZQJC-UHFFFAOYSA-N
MW209.30 g/mol
LogP0.36
Rot. Bonds3

About 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine

2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine (PubChem CID 111030780) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine
PubChem CID111030780
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCCn1ccnc1)N(C)C
InChIInChI=1S/C10H19N5/c1-13(2)10(14(3)4)12-6-8-15-7-5-11-9-15/h5,7,9H,6,8H2,1-4H3
InChIKeyHUABORCMYPZQJC-UHFFFAOYSA-N
XLogP0.36
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 50.36
H-Bond Donors ≤ 50
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

N,N-diethyl-2-[[N-ethyl-N'-(2-imidazol-1-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010148
2-imidazol-1-ylethanol
CID 159023310
3-ethyl-1-[(4-ethylphenyl)methyl]-2-(2-imidazol-1-ylethyl)-1-methylguanidine
CID 111283295
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892
ethane;2-imidazol-1-yl-N,N-dimethylacetamide
CID 171641946
2-[3-imidazol-1-ylpropyl(methyl)amino]-N,N-dimethylpropanamide
CID 84592025
2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111030816
1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110945365
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930

Frequently Asked Questions

What is the IUPAC name of 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine (CID 111030780) is 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine is CN(C)C(=NCCn1ccnc1)N(C)C.
What is the InChIKey of 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is HUABORCMYPZQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-13(2)10(14(3)4)12-6-8-15-7-5-11-9-15/h5,7,9H,6,8H2,1-4H3.
What are the key properties of 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine?
2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 209.30 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imidazol-1-ylethyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111030780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).