1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine

C16H33N5 — CID 111056027

IUPAC1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
SMILESCCN1CCN(C(C)C/N=C(\N)NC2CCCCC2)CC1
InChIInChI=1S/C16H33N5/c1-3-20-9-11-21(12-10-20)14(2)13-18-16(17)19-15-7-5-4-6-8-15/h14-15H,3-13H2,1-2H3,(H3,17,18,19)
InChIKeyBKDSMCGOWIBZEB-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.25
Rot. Bonds5

About 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine

1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine (PubChem CID 111056027) has the molecular formula C16H33N5 and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
PubChem CID111056027
Molecular FormulaC16H33N5
Molecular Weight295.47 g/mol
Exact Mass295.27
IUPAC Name1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine
SMILESCCN1CCN(C(C)C/N=C(\N)NC2CCCCC2)CC1
InChIInChI=1S/C16H33N5/c1-3-20-9-11-21(12-10-20)14(2)13-18-16(17)19-15-7-5-4-6-8-15/h14-15H,3-13H2,1-2H3,(H3,17,18,19)
InChIKeyBKDSMCGOWIBZEB-UHFFFAOYSA-N
XLogP1.25
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.25
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-morpholin-4-ylpropyl)guanidine
CID 111055183
1-cyclohexyl-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055087
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 110912531
1-cyclohexyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 110912532
1-cyclohexyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 110957277
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-prop-2-enylguanidine;hydroiodide
CID 110927121
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-(4-methylcyclohexyl)guanidine
CID 111255723
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111598659
1-cyclopentyl-2-(1-ethylpiperidin-4-yl)guanidine
CID 55063922
1-cyclohexyl-2-ethylguanidine
CID 18727697
2-[2-(4-ethylpiperazin-1-yl)propyl]-1-phenylguanidine;hydroiodide
CID 110927127
ethyl 4-[[N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111070462

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine (CID 111056027) is 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine is CCN1CCN(C(C)C/N=C(\N)NC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine?
The InChIKey is BKDSMCGOWIBZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-3-20-9-11-21(12-10-20)14(2)13-18-16(17)19-15-7-5-4-6-8-15/h14-15H,3-13H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine?
1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine has a molecular weight of 295.47 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine is sourced from PubChem (CID 111056027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).