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

C20H41N5 — CID 111608992

IUPAC2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCCC1CCCC1)NCCN1CCN(CC)CC1
InChIInChI=1S/C20H41N5/c1-3-21-20(22-12-8-7-11-19-9-5-6-10-19)23-13-14-25-17-15-24(4-2)16-18-25/h19H,3-18H2,1-2H3,(H2,21,22,23)
InChIKeyHPMBZBKWPCPWFX-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.54
Rot. Bonds10

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

2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine (PubChem CID 111608992) has the molecular formula C20H41N5 and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
PubChem CID111608992
Molecular FormulaC20H41N5
Molecular Weight351.58 g/mol
Exact Mass351.34
IUPAC Name2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCCC1CCCC1)NCCN1CCN(CC)CC1
InChIInChI=1S/C20H41N5/c1-3-21-20(22-12-8-7-11-19-9-5-6-10-19)23-13-14-25-17-15-24(4-2)16-18-25/h19H,3-18H2,1-2H3,(H2,21,22,23)
InChIKeyHPMBZBKWPCPWFX-UHFFFAOYSA-N
XLogP2.54
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.54
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-(3-cyclohexylpropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111947612
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]guanidine
CID 111946547
2-(4-cyclopentylbutyl)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethylguanidine
CID 111609130
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-cyclopentylpropyl)-3-ethylguanidine
CID 111946411
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(3-cyclohexylpropyl)-3-ethylguanidine
CID 111947275
2-(4-cyclopentylbutyl)-1,3-diethylguanidine
CID 111465882
2-(4-ethoxybutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111945649
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111397330
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111391459
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[2-(3-methylcyclohexyl)ethyl]guanidine;hydroiodide
CID 111557968
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111784978
1-ethyl-3-[2-(1-ethylpiperidin-4-yl)ethyl]-2-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111786671

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
The IUPAC name of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine (CID 111608992) is 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine.
What is the SMILES notation for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
The canonical SMILES for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine is CCN/C(=N\CCCCC1CCCC1)NCCN1CCN(CC)CC1.
What is the InChIKey of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
The InChIKey is HPMBZBKWPCPWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5/c1-3-21-20(22-12-8-7-11-19-9-5-6-10-19)23-13-14-25-17-15-24(4-2)16-18-25/h19H,3-18H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine?
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine has a molecular weight of 351.58 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine is sourced from PubChem (CID 111608992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).