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

C12H18N4O — CID 119146849

IUPAC2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1CCCC1O)Nc1ccccn1
InChIInChI=1S/C12H18N4O/c13-12(16-11-6-1-2-7-14-11)15-8-9-4-3-5-10(9)17/h1-2,6-7,9-10,17H,3-5,8H2,(H3,13,14,15,16)
InChIKeyYVFDDJVDADMCSL-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.97
Rot. Bonds3

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

2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine (PubChem CID 119146849) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
PubChem CID119146849
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1CCCC1O)Nc1ccccn1
InChIInChI=1S/C12H18N4O/c13-12(16-11-6-1-2-7-14-11)15-8-9-4-3-5-10(9)17/h1-2,6-7,9-10,17H,3-5,8H2,(H3,13,14,15,16)
InChIKeyYVFDDJVDADMCSL-UHFFFAOYSA-N
XLogP0.97
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.97
H-Bond Donors ≤ 53
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-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 122097073
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-methylsulfonylpiperidin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 120973639
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
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
N-[3-[[[amino-(pyridin-2-ylamino)methylidene]amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 119118321
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine (CID 119146849) is 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine is N/C(=N\CC1CCCC1O)Nc1ccccn1.
What is the InChIKey of 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine?
The InChIKey is YVFDDJVDADMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-12(16-11-6-1-2-7-14-11)15-8-9-4-3-5-10(9)17/h1-2,6-7,9-10,17H,3-5,8H2,(H3,13,14,15,16).
What are the key properties of 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine?
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine has a molecular weight of 234.30 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119146849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).