2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine

C18H28N4O — CID 119121177

IUPAC2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
SMILESN/C(=N\Cc1ccnc(OC2CCCCC2)c1)NC1CCCC1
InChIInChI=1S/C18H28N4O/c19-18(22-15-6-4-5-7-15)21-13-14-10-11-20-17(12-14)23-16-8-2-1-3-9-16/h10-12,15-16H,1-9,13H2,(H3,19,21,22)
InChIKeyJITYPWZYUOUOSM-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.14
Rot. Bonds5

About 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine

2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine (PubChem CID 119121177) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine.

Molecular Properties

Compound Name2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
PubChem CID119121177
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
SMILESN/C(=N\Cc1ccnc(OC2CCCCC2)c1)NC1CCCC1
InChIInChI=1S/C18H28N4O/c19-18(22-15-6-4-5-7-15)21-13-14-10-11-20-17(12-14)23-16-8-2-1-3-9-16/h10-12,15-16H,1-9,13H2,(H3,19,21,22)
InChIKeyJITYPWZYUOUOSM-UHFFFAOYSA-N
XLogP3.14
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.14
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

1-tert-butyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]guanidine
CID 111049934
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050169
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-phenylethyl)guanidine
CID 111049928
1-cyclopentyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110989668
1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
CID 120603148
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111049963
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376
N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919958

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine?
The IUPAC name of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine (CID 119121177) is 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine.
What is the SMILES notation for 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine?
The canonical SMILES for 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine is N/C(=N\Cc1ccnc(OC2CCCCC2)c1)NC1CCCC1.
What is the InChIKey of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine?
The InChIKey is JITYPWZYUOUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c19-18(22-15-6-4-5-7-15)21-13-14-10-11-20-17(12-14)23-16-8-2-1-3-9-16/h10-12,15-16H,1-9,13H2,(H3,19,21,22).
What are the key properties of 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine?
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine has a molecular weight of 316.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine is sourced from PubChem (CID 119121177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).