1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine

C15H23N3O — CID 55063965

IUPAC1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(CC/N=C(\N)NC2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-19-14-8-6-12(7-9-14)10-11-17-15(16)18-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H3,16,17,18)
InChIKeyNSKAEIMDKUFRRI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.08
Rot. Bonds5

About 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine

1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine (PubChem CID 55063965) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
PubChem CID55063965
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
SMILESCOc1ccc(CC/N=C(\N)NC2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-19-14-8-6-12(7-9-14)10-11-17-15(16)18-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H3,16,17,18)
InChIKeyNSKAEIMDKUFRRI-UHFFFAOYSA-N
XLogP2.08
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.08
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-cyclopropyl-2-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
2-[2-(4-methoxyphenyl)ethyl]-1-[(1R,2S)-2-methylcyclopropyl]guanidine
CID 98435856
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
CID 111422983
1-cyclohexyl-2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]guanidine
CID 111084505
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075242
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
CID 62364271
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 110991193
1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111575006

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine (CID 55063965) is 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine is COc1ccc(CC/N=C(\N)NC2CCCC2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine?
The InChIKey is NSKAEIMDKUFRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-19-14-8-6-12(7-9-14)10-11-17-15(16)18-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H3,16,17,18).
What are the key properties of 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine?
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine has a molecular weight of 261.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine is sourced from PubChem (CID 55063965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).