1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine

C18H37N5 — CID 110990407

IUPAC1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)NC1CCCC1
InChIInChI=1S/C18H37N5/c1-3-19-18(21-17-9-5-6-10-17)20-11-7-8-12-23-15-13-22(4-2)14-16-23/h17H,3-16H2,1-2H3,(H2,19,20,21)
InChIKeyUVWLKCCPGNIQKN-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.90
Rot. Bonds8

About 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine

1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine (PubChem CID 110990407) has the molecular formula C18H37N5 and a molecular weight of 323.53 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
PubChem CID110990407
Molecular FormulaC18H37N5
Molecular Weight323.53 g/mol
Exact Mass323.30
IUPAC Name1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
SMILESCCN/C(=N\CCCCN1CCN(CC)CC1)NC1CCCC1
InChIInChI=1S/C18H37N5/c1-3-19-18(21-17-9-5-6-10-17)20-11-7-8-12-23-15-13-22(4-2)14-16-23/h17H,3-16H2,1-2H3,(H2,19,20,21)
InChIKeyUVWLKCCPGNIQKN-UHFFFAOYSA-N
XLogP1.90
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.90
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

1-cyclopentyl-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110990839
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529300
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127269
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
CID 111946547
1-cyclopropyl-3-ethyl-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110989230
tert-butyl 3-[[N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109465814
1-ethyl-3-(4-hydroxycyclohexyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111190319
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111608992
1-ethyl-3-(3-methylsulfanylcyclopentyl)-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111529295
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-pentylguanidine
CID 111130454
1-[3-[[(cyclohexylamino)-(ethylamino)methylidene]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 110957961

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine (CID 110990407) is 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine is CCN/C(=N\CCCCN1CCN(CC)CC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine?
The InChIKey is UVWLKCCPGNIQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5/c1-3-19-18(21-17-9-5-6-10-17)20-11-7-8-12-23-15-13-22(4-2)14-16-23/h17H,3-16H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine?
1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine has a molecular weight of 323.53 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-[4-(4-ethylpiperazin-1-yl)butyl]guanidine is sourced from PubChem (CID 110990407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).