2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

C15H28N6O — CID 111775752

IUPAC2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\Cc1nccn1CC(C)C)NCC(=O)N(C)C
InChIInChI=1S/C15H28N6O/c1-6-16-15(19-10-14(22)20(4)5)18-9-13-17-7-8-21(13)11-12(2)3/h7-8,12H,6,9-11H2,1-5H3,(H2,16,18,19)
InChIKeyPCYSLFKFYAUYJY-UHFFFAOYSA-N
MW308.43 g/mol
LogP0.68
Rot. Bonds7

About 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide

2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (PubChem CID 111775752) has the molecular formula C15H28N6O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
PubChem CID111775752
Molecular FormulaC15H28N6O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\Cc1nccn1CC(C)C)NCC(=O)N(C)C
InChIInChI=1S/C15H28N6O/c1-6-16-15(19-10-14(22)20(4)5)18-9-13-17-7-8-21(13)11-12(2)3/h7-8,12H,6,9-11H2,1-5H3,(H2,16,18,19)
InChIKeyPCYSLFKFYAUYJY-UHFFFAOYSA-N
XLogP0.68
TPSA74.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472076
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111775325
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111776909
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111818001
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111772531
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111770853
1-ethyl-3-[3-(4-methylpiperidin-1-yl)propyl]-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 111776248
1-ethyl-3-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
CID 109493673
1-ethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111775850
2-[[N-ethyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111015688
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
CID 111818003
2-[[N-ethyl-N'-[(1-phenylpyrazol-3-yl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide
CID 111363931

Frequently Asked Questions

What is the IUPAC name of 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide (CID 111775752) is 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is CCN/C(=N\Cc1nccn1CC(C)C)NCC(=O)N(C)C.
What is the InChIKey of 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
The InChIKey is PCYSLFKFYAUYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N6O/c1-6-16-15(19-10-14(22)20(4)5)18-9-13-17-7-8-21(13)11-12(2)3/h7-8,12H,6,9-11H2,1-5H3,(H2,16,18,19).
What are the key properties of 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide?
2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide has a molecular weight of 308.43 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N-ethyl-N'-[[1-(2-methylpropyl)imidazol-2-yl]methyl]carbamimidoyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111775752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).