1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine

C18H29N3O — CID 110989957

IUPAC1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(COCC)cc1)NC1CCCC1
InChIInChI=1S/C18H29N3O/c1-3-19-18(21-17-7-5-6-8-17)20-13-15-9-11-16(12-10-15)14-22-4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyFXGKHBJAYZECNK-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.22
Rot. Bonds7

About 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine

1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine (PubChem CID 110989957) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine
PubChem CID110989957
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccc(COCC)cc1)NC1CCCC1
InChIInChI=1S/C18H29N3O/c1-3-19-18(21-17-7-5-6-8-17)20-13-15-9-11-16(12-10-15)14-22-4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H2,19,20,21)
InChIKeyFXGKHBJAYZECNK-UHFFFAOYSA-N
XLogP3.22
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(cyclopropylmethyl)-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111870307
1-cyclopentyl-3-ethyl-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110990048
1-cyclopropyl-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110988618
2-[(4-tert-butylphenyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110989487
1-cyclopropyl-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 110988637
1-cyclopentyl-3-ethyl-2-[[4-(methylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 110991780
1-cyclopentyl-3-ethyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110989574
1-cyclopropyl-3-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110989461
1-cyclopentyl-3-ethyl-2-[(4-thiomorpholin-4-ylphenyl)methyl]guanidine
CID 110992225
1-cyclopentyl-3-ethyl-2-[(4-methoxy-3-methylphenyl)methyl]guanidine;hydroiodide
CID 110991558
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316742
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111984266

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine (CID 110989957) is 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine is CCN/C(=N\Cc1ccc(COCC)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine?
The InChIKey is FXGKHBJAYZECNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-3-19-18(21-17-7-5-6-8-17)20-13-15-9-11-16(12-10-15)14-22-4-2/h9-12,17H,3-8,13-14H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine?
1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine has a molecular weight of 303.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[4-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine is sourced from PubChem (CID 110989957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).