2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine

C18H32N4O — CID 109394337

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
SMILESCCN1CCCC1C/N=C(\N)NC1C2CCOC2C12CCCC2
InChIInChI=1S/C18H32N4O/c1-2-22-10-5-6-13(22)12-20-17(19)21-15-14-7-11-23-16(14)18(15)8-3-4-9-18/h13-16H,2-12H2,1H3,(H3,19,20,21)
InChIKeyAXAXECOTJVXJLL-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.72
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine (PubChem CID 109394337) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
PubChem CID109394337
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
SMILESCCN1CCCC1C/N=C(\N)NC1C2CCOC2C12CCCC2
InChIInChI=1S/C18H32N4O/c1-2-22-10-5-6-13(22)12-20-17(19)21-15-14-7-11-23-16(14)18(15)8-3-4-9-18/h13-16H,2-12H2,1H3,(H3,19,20,21)
InChIKeyAXAXECOTJVXJLL-UHFFFAOYSA-N
XLogP1.72
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine 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

2-(oxolan-2-ylmethyl)-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109394149
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109392509
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125996
2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
CID 122098248
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109407392
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822778
1-butan-2-yl-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109400614
2-(cyclobutylmethyl)-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)guanidine;hydroiodide
CID 111815699
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109402304
1-(1-cyclopentylpyrrolidin-3-yl)-2-ethyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109405640

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine (CID 109394337) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine is CCN1CCCC1C/N=C(\N)NC1C2CCOC2C12CCCC2.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
The InChIKey is AXAXECOTJVXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-2-22-10-5-6-13(22)12-20-17(19)21-15-14-7-11-23-16(14)18(15)8-3-4-9-18/h13-16H,2-12H2,1H3,(H3,19,20,21).
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine has a molecular weight of 320.48 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine is sourced from PubChem (CID 109394337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).