1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine

C15H29N5 — CID 111818024

IUPAC1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
SMILESCCCCCCN/C(N)=N/Cc1nccn1CC(C)C
InChIInChI=1S/C15H29N5/c1-4-5-6-7-8-18-15(16)19-11-14-17-9-10-20(14)12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3,(H3,16,18,19)
InChIKeyZBOUCZRCWJFUQZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.52
Rot. Bonds9

About 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine

1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine (PubChem CID 111818024) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine.

Molecular Properties

Compound Name1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
PubChem CID111818024
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine
SMILESCCCCCCN/C(N)=N/Cc1nccn1CC(C)C
InChIInChI=1S/C15H29N5/c1-4-5-6-7-8-18-15(16)19-11-14-17-9-10-20(14)12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3,(H3,16,18,19)
InChIKeyZBOUCZRCWJFUQZ-UHFFFAOYSA-N
XLogP2.52
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propylguanidine;hydroiodide
CID 111818003
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111817931
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-(4-ethylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817965
1-(4-methylphenyl)-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111817983
1-hexyl-2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine
CID 111052907
1,1,3,3-tetramethyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111818001
2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111817947
1-hexyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111031643
2-[(1-methylbenzimidazol-2-yl)methyl]-1-octylguanidine
CID 111033392
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-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111770853

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine?
The IUPAC name of 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine (CID 111818024) is 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine.
What is the SMILES notation for 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine?
The canonical SMILES for 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine is CCCCCCN/C(N)=N/Cc1nccn1CC(C)C.
What is the InChIKey of 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine?
The InChIKey is ZBOUCZRCWJFUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-5-6-7-8-18-15(16)19-11-14-17-9-10-20(14)12-13(2)3/h9-10,13H,4-8,11-12H2,1-3H3,(H3,16,18,19).
What are the key properties of 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine?
1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine has a molecular weight of 279.43 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine is sourced from PubChem (CID 111818024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).