2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine

C18H22N4O — CID 110925462

IUPAC2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccnc(OC2CCCC2)c1)Nc1ccccc1
InChIInChI=1S/C18H22N4O/c19-18(22-15-6-2-1-3-7-15)21-13-14-10-11-20-17(12-14)23-16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H3,19,21,22)
InChIKeyKDDANKXCFNHFIB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.33
Rot. Bonds5

About 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine

2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine (PubChem CID 110925462) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
PubChem CID110925462
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccnc(OC2CCCC2)c1)Nc1ccccc1
InChIInChI=1S/C18H22N4O/c19-18(22-15-6-2-1-3-7-15)21-13-14-10-11-20-17(12-14)23-16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H3,19,21,22)
InChIKeyKDDANKXCFNHFIB-UHFFFAOYSA-N
XLogP3.33
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111049928
1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111049994
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-hexylguanidine
CID 111049940
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111049963
1-(3,4-dimethoxyphenyl)-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111808125
1-(4-ethylphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111050472
2-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-(4-methylphenyl)guanidine
CID 111807580
N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919958
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine?
The IUPAC name of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine (CID 110925462) is 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine?
The canonical SMILES for 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine is N/C(=N\Cc1ccnc(OC2CCCC2)c1)Nc1ccccc1.
What is the InChIKey of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine?
The InChIKey is KDDANKXCFNHFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c19-18(22-15-6-2-1-3-7-15)21-13-14-10-11-20-17(12-14)23-16-8-4-5-9-16/h1-3,6-7,10-12,16H,4-5,8-9,13H2,(H3,19,21,22).
What are the key properties of 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine?
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine has a molecular weight of 310.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine is sourced from PubChem (CID 110925462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).