2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine

C13H21N3S — CID 62362003

IUPAC2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1cc2c(s1)CCC2
InChIInChI=1S/C13H21N3S/c1-9(2)7-15-13(14)16-8-11-6-10-4-3-5-12(10)17-11/h6,9H,3-5,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyQIVJSQQSVZAUPM-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.30
Rot. Bonds4

About 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine

2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine (PubChem CID 62362003) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine
PubChem CID62362003
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine
SMILESCC(C)CN/C(N)=N/Cc1cc2c(s1)CCC2
InChIInChI=1S/C13H21N3S/c1-9(2)7-15-13(14)16-8-11-6-10-4-3-5-12(10)17-11/h6,9H,3-5,7-8H2,1-2H3,(H3,14,15,16)
InChIKeyQIVJSQQSVZAUPM-UHFFFAOYSA-N
XLogP2.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.30
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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-2-ol
CID 83675076
(2S)-2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylpentanamide
CID 61208957
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528
2-[[3-(dimethylamino)phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111045598
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)propanamide
CID 61208365
2-[(3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912118
2-[(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369758
1-(2-methylpropyl)-2-[(4-propan-2-ylphenyl)methyl]guanidine
CID 62362032
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-methylpentan-2-amine
CID 61208159
2-[(2-bromophenyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 110912324
1-(2-methylpropyl)-2-[(2,4,5-trimethoxyphenyl)methyl]guanidine
CID 111032474

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine?
The IUPAC name of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine (CID 62362003) is 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine is CC(C)CN/C(N)=N/Cc1cc2c(s1)CCC2.
What is the InChIKey of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine?
The InChIKey is QIVJSQQSVZAUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-9(2)7-15-13(14)16-8-11-6-10-4-3-5-12(10)17-11/h6,9H,3-5,7-8H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine?
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine has a molecular weight of 251.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 62362003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).