2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine

C15H23N3O — CID 110953498

IUPAC2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C15H23N3O/c1-2-16-15(18-12-14-9-6-10-19-14)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,17,18)
InChIKeyYOAWMACUGQCOST-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.92
Rot. Bonds5

About 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine

2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine (PubChem CID 110953498) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
PubChem CID110953498
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccc1)NCC1CCCO1
InChIInChI=1S/C15H23N3O/c1-2-16-15(18-12-14-9-6-10-19-14)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,17,18)
InChIKeyYOAWMACUGQCOST-UHFFFAOYSA-N
XLogP1.92
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.92
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'}

Analyze 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)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

1-ethyl-2-[(3-fluorophenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111136643
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136489
N-ethyl-4-[[[ethylamino-(oxolan-2-ylmethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111137528
1-ethyl-2-[(2-methylphenyl)methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137534
1-ethyl-3-(oxolan-2-ylmethyl)-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111138481
1-ethyl-3-(oxolan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111139862
2-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137795
1-ethyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111138571
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(3-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111139858
1-ethyl-3-(oxolan-2-ylmethyl)-2-[(2-phenyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 86770911
1-ethyl-2-(2-hydroxy-2,3-diphenylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111510673
1-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139530

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine (CID 110953498) is 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccc1)NCC1CCCO1.
What is the InChIKey of 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine?
The InChIKey is YOAWMACUGQCOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-16-15(18-12-14-9-6-10-19-14)17-11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H2,16,17,18).
What are the key properties of 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine?
2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine has a molecular weight of 261.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-3-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 110953498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).