2-(4-cyclopentylbutyl)-1,3-diethylguanidine

C14H29N3 — CID 111465882

IUPAC2-(4-cyclopentylbutyl)-1,3-diethylguanidine
SMILESCCNC(=NCCCCC1CCCC1)NCC
InChIInChI=1S/C14H29N3/c1-3-15-14(16-4-2)17-12-8-7-11-13-9-5-6-10-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyWHLGFXUUSIYIKW-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.92
Rot. Bonds7

About 2-(4-cyclopentylbutyl)-1,3-diethylguanidine

2-(4-cyclopentylbutyl)-1,3-diethylguanidine (PubChem CID 111465882) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(4-cyclopentylbutyl)-1,3-diethylguanidine.

Molecular Properties

Compound Name2-(4-cyclopentylbutyl)-1,3-diethylguanidine
PubChem CID111465882
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(4-cyclopentylbutyl)-1,3-diethylguanidine
SMILESCCNC(=NCCCCC1CCCC1)NCC
InChIInChI=1S/C14H29N3/c1-3-15-14(16-4-2)17-12-8-7-11-13-9-5-6-10-13/h13H,3-12H2,1-2H3,(H2,15,16,17)
InChIKeyWHLGFXUUSIYIKW-UHFFFAOYSA-N
XLogP2.92
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(4-cyclopentylbutyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]guanidine
CID 111608992
methyl 3-[[N'-(4-cyclopentylbutyl)-N-ethylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111608709
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111609003
2-(3-cyclohexylpropyl)-1-ethyl-3-(2-ethylsulfonylethyl)guanidine
CID 111947469
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
2-(4-cyclopentylbutyl)-1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-3-ethylguanidine
CID 111609130
N-[2-[[N'-(3-cyclohexylpropyl)-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111928512
2-(4-cyclopentylbutyl)-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111792455
2-(4-cyclopentylbutyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111608816
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
CID 111792061
2-(3-cyclopentylpropyl)-1-ethyl-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111946727
3-[[N'-(3-cyclopentylpropyl)-N-ethylcarbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111946698

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylbutyl)-1,3-diethylguanidine?
The IUPAC name of 2-(4-cyclopentylbutyl)-1,3-diethylguanidine (CID 111465882) is 2-(4-cyclopentylbutyl)-1,3-diethylguanidine.
What is the SMILES notation for 2-(4-cyclopentylbutyl)-1,3-diethylguanidine?
The canonical SMILES for 2-(4-cyclopentylbutyl)-1,3-diethylguanidine is CCNC(=NCCCCC1CCCC1)NCC.
What is the InChIKey of 2-(4-cyclopentylbutyl)-1,3-diethylguanidine?
The InChIKey is WHLGFXUUSIYIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-15-14(16-4-2)17-12-8-7-11-13-9-5-6-10-13/h13H,3-12H2,1-2H3,(H2,15,16,17).
What are the key properties of 2-(4-cyclopentylbutyl)-1,3-diethylguanidine?
2-(4-cyclopentylbutyl)-1,3-diethylguanidine has a molecular weight of 239.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylbutyl)-1,3-diethylguanidine is sourced from PubChem (CID 111465882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).