2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine

C13H21N3S — CID 62370226

IUPAC2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(N/C(N)=N/C1CCCC1)c1cccs1
InChIInChI=1S/C13H21N3S/c1-2-11(12-8-5-9-17-12)16-13(14)15-10-6-3-4-7-10/h5,8-11H,2-4,6-7H2,1H3,(H3,14,15,16)
InChIKeyDYTGHMXUKSMOTH-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.05
Rot. Bonds4

About 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine

2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine (PubChem CID 62370226) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
PubChem CID62370226
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine
SMILESCCC(N/C(N)=N/C1CCCC1)c1cccs1
InChIInChI=1S/C13H21N3S/c1-2-11(12-8-5-9-17-12)16-13(14)15-10-6-3-4-7-10/h5,8-11H,2-4,6-7H2,1H3,(H3,14,15,16)
InChIKeyDYTGHMXUKSMOTH-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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'}

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Related Compounds

2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
CID 62370058
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
N-(1-thiophen-2-ylpropyl)piperidine-2-carboxamide
CID 54964031
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
(3S)-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
CID 81139457
1-amino-2-cyclohexyl-3-(2-methyl-1-thiophen-2-ylpropyl)guanidine
CID 116514133
3-methyl-N-(1-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 60547129
2-cyclopentyl-1-(1-hydroxybutan-2-yl)guanidine
CID 62362767
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine (CID 62370226) is 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine is CCC(N/C(N)=N/C1CCCC1)c1cccs1.
What is the InChIKey of 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine?
The InChIKey is DYTGHMXUKSMOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-11(12-8-5-9-17-12)16-13(14)15-10-6-3-4-7-10/h5,8-11H,2-4,6-7H2,1H3,(H3,14,15,16).
What are the key properties of 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine?
2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine has a molecular weight of 251.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(1-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 62370226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).