1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine

C13H23N5 — CID 62368222

IUPAC1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
SMILESCn1ccnc1CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H23N5/c1-18-10-9-15-12(18)7-8-16-13(14)17-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H3,14,16,17)
InChIKeyVKWFJSBYSITRLC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.20
Rot. Bonds4

About 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine

1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine (PubChem CID 62368222) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
PubChem CID62368222
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
SMILESCn1ccnc1CC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C13H23N5/c1-18-10-9-15-12(18)7-8-16-13(14)17-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H3,14,16,17)
InChIKeyVKWFJSBYSITRLC-UHFFFAOYSA-N
XLogP1.20
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
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

1-cyclohexyl-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111068795
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CID 61214993
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
N'-[2-(1-methylimidazol-2-yl)ethyl]butanimidamide
CID 63177420
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-cyclopentyl-2-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 119148112
1-cyclopentyl-2-[2-(1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 103743959

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine (CID 62368222) is 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine is Cn1ccnc1CC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
The InChIKey is VKWFJSBYSITRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-18-10-9-15-12(18)7-8-16-13(14)17-11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H3,14,16,17).
What are the key properties of 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine?
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine is sourced from PubChem (CID 62368222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).