2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine

C14H21N3O — CID 130557243

IUPAC2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NC1CCCC1CO
InChIInChI=1S/C14H21N3O/c15-14(16-9-11-5-2-1-3-6-11)17-13-8-4-7-12(13)10-18/h1-3,5-6,12-13,18H,4,7-10H2,(H3,15,16,17)
InChIKeyVTSBGZBFNQBHAR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds4

About 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine

2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 130557243) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID130557243
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NC1CCCC1CO
InChIInChI=1S/C14H21N3O/c15-14(16-9-11-5-2-1-3-6-11)17-13-8-4-7-12(13)10-18/h1-3,5-6,12-13,18H,4,7-10H2,(H3,15,16,17)
InChIKeyVTSBGZBFNQBHAR-UHFFFAOYSA-N
XLogP1.25
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
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-benzyl-1-(2,3-dimethylcyclohexyl)guanidine
CID 130158509
[2-(2-phenylethylamino)cyclopentyl]methanol
CID 104864522
N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 85447885
(E)-N-[2-(hydroxymethyl)cyclopentyl]-3-phenylprop-2-enamide
CID 103751614
2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
CID 130625535
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 103951115
2-benzyl-1-phenylguanidine
CID 12910062
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774164
(E)-3-(benzenesulfonyl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 106364399
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103774219

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine (CID 130557243) is 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine is N/C(=N\Cc1ccccc1)NC1CCCC1CO.
What is the InChIKey of 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is VTSBGZBFNQBHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(16-9-11-5-2-1-3-6-11)17-13-8-4-7-12(13)10-18/h1-3,5-6,12-13,18H,4,7-10H2,(H3,15,16,17).
What are the key properties of 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine?
2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 247.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 130557243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).