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

C14H21N3O — CID 130557052

IUPAC2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NC1(CO)CCCC1
InChIInChI=1S/C14H21N3O/c15-13(16-10-12-6-2-1-3-7-12)17-14(11-18)8-4-5-9-14/h1-3,6-7,18H,4-5,8-11H2,(H3,15,16,17)
InChIKeyVPVGIFRXIFHNLC-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds4

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

2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (PubChem CID 130557052) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
PubChem CID130557052
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
SMILESN/C(=N\Cc1ccccc1)NC1(CO)CCCC1
InChIInChI=1S/C14H21N3O/c15-13(16-10-12-6-2-1-3-7-12)17-14(11-18)8-4-5-9-14/h1-3,6-7,18H,4-5,8-11H2,(H3,15,16,17)
InChIKeyVPVGIFRXIFHNLC-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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'}

Analyze 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-1-azaspiro[4.4]nonane-1-carboximidamide
CID 131096339
2-benzyl-1-phenylguanidine
CID 12910062
(1-benzylcyclopentyl)urea
CID 86790395
(2S)-2-amino-N-[1-(hydroxymethyl)cyclopentyl]-4-phenylbutanamide
CID 104984321
2-benzyl-1-[2-(hydroxymethyl)cyclopentyl]guanidine
CID 130557243
2-amino-N-[1-(hydroxymethyl)cyclohexyl]-3-phenylpropanamide
CID 62553374
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
CID 130625535
2-benzyl-1-[8-[(N'-benzylcarbamimidoyl)amino]octyl]guanidine
CID 155530379
2-cyclopropyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine
CID 62522328
2-benzyl-1-[6-[(N'-benzylcarbamimidoyl)amino]hexyl]guanidine
CID 12991061
N'-benzyl-2-hydroxyethanimidamide
CID 90668671

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The IUPAC name of 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine (CID 130557052) is 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The canonical SMILES for 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is N/C(=N\Cc1ccccc1)NC1(CO)CCCC1.
What is the InChIKey of 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
The InChIKey is VPVGIFRXIFHNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-13(16-10-12-6-2-1-3-7-12)17-14(11-18)8-4-5-9-14/h1-3,6-7,18H,4-5,8-11H2,(H3,15,16,17).
What are the key properties of 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine?
2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine has a molecular weight of 247.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[1-(hydroxymethyl)cyclopentyl]guanidine is sourced from PubChem (CID 130557052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).