2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine

C16H25N3O — CID 111062739

IUPAC2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CCCC2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-20-15-10-8-14(9-11-15)19-16(17)18-12-4-7-13-5-2-3-6-13/h8-11,13H,2-7,12H2,1H3,(H3,17,18,19)
InChIKeyGCBJIIVEANDOFC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.39
Rot. Bonds6

About 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine

2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine (PubChem CID 111062739) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
PubChem CID111062739
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine
SMILESCOc1ccc(N/C(N)=N/CCCC2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-20-15-10-8-14(9-11-15)19-16(17)18-12-4-7-13-5-2-3-6-13/h8-11,13H,2-7,12H2,1H3,(H3,17,18,19)
InChIKeyGCBJIIVEANDOFC-UHFFFAOYSA-N
XLogP3.39
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.39
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

N-[3-[[amino-(4-methoxyanilino)methylidene]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 111752383
2-(3-cyclopentylpropyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111062736
1-(4-methoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111035965
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-(4-methoxyphenyl)guanidine
CID 111099144
1-(4-methoxyphenyl)-2-(2-methylsulfanylethyl)guanidine
CID 111030340
2-[3-(diethylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111025337
2-(3-anilinopropyl)-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111088121
2-[3-(4-methoxyphenyl)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111075901
1-(4-methoxyphenyl)-2-pent-3-enylguanidine
CID 111813726
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
2-[3-(ethylsulfonylamino)propyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111093452
1-(4-methoxyphenyl)-2-(3-oxo-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111054626

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine?
The IUPAC name of 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine (CID 111062739) is 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine.
What is the SMILES notation for 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine?
The canonical SMILES for 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine is COc1ccc(N/C(N)=N/CCCC2CCCC2)cc1.
What is the InChIKey of 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine?
The InChIKey is GCBJIIVEANDOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-15-10-8-14(9-11-15)19-16(17)18-12-4-7-13-5-2-3-6-13/h8-11,13H,2-7,12H2,1H3,(H3,17,18,19).
What are the key properties of 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine?
2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine has a molecular weight of 275.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentylpropyl)-1-(4-methoxyphenyl)guanidine is sourced from PubChem (CID 111062739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).