2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine

C18H22N4 — CID 122097073

IUPAC2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1CCCC1c1ccccc1)Nc1ccccn1
InChIInChI=1S/C18H22N4/c19-18(22-17-11-4-5-12-20-17)21-13-15-9-6-10-16(15)14-7-2-1-3-8-14/h1-5,7-8,11-12,15-16H,6,9-10,13H2,(H3,19,20,21,22)
InChIKeyIIUSVNZOMDEADA-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.39
Rot. Bonds4

About 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine

2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine (PubChem CID 122097073) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
PubChem CID122097073
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1CCCC1c1ccccc1)Nc1ccccn1
InChIInChI=1S/C18H22N4/c19-18(22-17-11-4-5-12-20-17)21-13-15-9-6-10-16(15)14-7-2-1-3-8-14/h1-5,7-8,11-12,15-16H,6,9-10,13H2,(H3,19,20,21,22)
InChIKeyIIUSVNZOMDEADA-UHFFFAOYSA-N
XLogP3.39
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.39
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

2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120727880
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
2-[(1-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 120973639
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119117265
N-[3-[[[amino-(pyridin-2-ylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 119118321
2-[[2-(4-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]-1-pyridin-2-ylguanidine
CID 122082078
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine (CID 122097073) is 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine is N/C(=N\CC1CCCC1c1ccccc1)Nc1ccccn1.
What is the InChIKey of 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine?
The InChIKey is IIUSVNZOMDEADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c19-18(22-17-11-4-5-12-20-17)21-13-15-9-6-10-16(15)14-7-2-1-3-8-14/h1-5,7-8,11-12,15-16H,6,9-10,13H2,(H3,19,20,21,22).
What are the key properties of 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine?
2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine has a molecular weight of 294.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 122097073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).