1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine

C16H31N3O — CID 110990933

IUPAC1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOC1CCCC1)NC1CCCC1
InChIInChI=1S/C16H31N3O/c1-2-17-16(19-14-8-3-4-9-14)18-12-7-13-20-15-10-5-6-11-15/h14-15H,2-13H2,1H3,(H2,17,18,19)
InChIKeyWTRDPAVZPISQGQ-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.83
Rot. Bonds7

About 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine

1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine (PubChem CID 110990933) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
PubChem CID110990933
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine
SMILESCCN/C(=N\CCCOC1CCCC1)NC1CCCC1
InChIInChI=1S/C16H31N3O/c1-2-17-16(19-14-8-3-4-9-14)18-12-7-13-20-15-10-5-6-11-15/h14-15H,2-13H2,1H3,(H2,17,18,19)
InChIKeyWTRDPAVZPISQGQ-UHFFFAOYSA-N
XLogP2.83
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclohexyloxypropyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111318972
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979003
2-(3-cyclohexyloxypropyl)-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine;hydroiodide
CID 111141168
2-(3-cyclohexyloxypropyl)-1-ethyl-3-prop-2-ynylguanidine
CID 136923844
1-cyclohexyl-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 110957459
1-butan-2-yl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine;hydroiodide
CID 110944371
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739
2-(5-cyclohexyloxypentyl)-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109437886
2-(2-cycloheptyloxyethyl)-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111830404
1-cyclopentyl-2-(3-cyclopropylpropyl)-3-ethylguanidine;hydroiodide
CID 111790884
2-(3-cyclopentyloxypropyl)-1-ethyl-3-(4-methylsulfanylbutyl)guanidine
CID 111628716
1-cyclopentyl-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111771216

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine?
The IUPAC name of 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine (CID 110990933) is 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine.
What is the SMILES notation for 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine?
The canonical SMILES for 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine is CCN/C(=N\CCCOC1CCCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine?
The InChIKey is WTRDPAVZPISQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-2-17-16(19-14-8-3-4-9-14)18-12-7-13-20-15-10-5-6-11-15/h14-15H,2-13H2,1H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine?
1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine has a molecular weight of 281.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine is sourced from PubChem (CID 110990933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).