2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine

C15H23N3 — CID 130567942

IUPAC2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
SMILESC[C@@H](N/C(N)=N/Cc1ccccc1)C1CCCC1
InChIInChI=1S/C15H23N3/c1-12(14-9-5-6-10-14)18-15(16)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H3,16,17,18)/t12-/m1/s1
InChIKeyYXRSXHXURRAJBJ-GFCCVEGCSA-N
MW245.37 g/mol
LogP2.67
Rot. Bonds4

About 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine

2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine (PubChem CID 130567942) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
PubChem CID130567942
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
SMILESC[C@@H](N/C(N)=N/Cc1ccccc1)C1CCCC1
InChIInChI=1S/C15H23N3/c1-12(14-9-5-6-10-14)18-15(16)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H3,16,17,18)/t12-/m1/s1
InChIKeyYXRSXHXURRAJBJ-GFCCVEGCSA-N
XLogP2.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-(1-cyclopropylpropyl)guanidine
CID 130671344
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-benzyl-1-(1-methylsulfanylpropan-2-yl)guanidine
CID 130557169
1-(1-cyclohexylethyl)-2-propylguanidine
CID 62406352
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-benzyl-1-(1-thiophen-2-ylethyl)guanidine
CID 130158185
2-benzyl-1-[(1R)-1-thiophen-2-ylethyl]guanidine
CID 130567874
2-benzyl-1-(3,3-difluorocyclopentyl)guanidine
CID 130625535

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine?
The IUPAC name of 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine (CID 130567942) is 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine.
What is the SMILES notation for 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine?
The canonical SMILES for 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine is C[C@@H](N/C(N)=N/Cc1ccccc1)C1CCCC1.
What is the InChIKey of 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine?
The InChIKey is YXRSXHXURRAJBJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(14-9-5-6-10-14)18-15(16)17-11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H3,16,17,18)/t12-/m1/s1.
What are the key properties of 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine?
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine has a molecular weight of 245.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine is sourced from PubChem (CID 130567942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).