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

C14H23N3S — CID 78963230

IUPAC1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
SMILESCC(C)(C/N=C(\N)NC1CCCC1)c1cccs1
InChIInChI=1S/C14H23N3S/c1-14(2,12-8-5-9-18-12)10-16-13(15)17-11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H3,15,16,17)
InChIKeyWBVWQPXJDAVHRF-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.87
Rot. Bonds4

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

1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine (PubChem CID 78963230) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
PubChem CID78963230
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
SMILESCC(C)(C/N=C(\N)NC1CCCC1)c1cccs1
InChIInChI=1S/C14H23N3S/c1-14(2,12-8-5-9-18-12)10-16-13(15)17-11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H3,15,16,17)
InChIKeyWBVWQPXJDAVHRF-UHFFFAOYSA-N
XLogP2.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.87
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-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
CID 78963226
N-cyclopentyl-3-[[N-ethyl-N'-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]propanamide
CID 111582266
1-cyclopropyl-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 110912213
N-cyclohexyl-3-[[N-ethyl-N'-(2-methyl-2-thiophen-2-ylpropyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111581883
ethyl 4-[[N'-(2-hydroxy-2-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111823829
1-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111582730
3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide
CID 111813467
1-(cyclobutylmethyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 111823895
N-(2-thiophen-2-ylpropan-2-yl)cyclopentanamine
CID 131153680
2-[[(cyclohexylamino)-[(2-methyl-2-thiophen-2-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111582214
1-ethyl-3-(2-methylcyclopropyl)-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 111582818
1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine
CID 119954337

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine (CID 78963230) is 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine is CC(C)(C/N=C(\N)NC1CCCC1)c1cccs1.
What is the InChIKey of 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
The InChIKey is WBVWQPXJDAVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-14(2,12-8-5-9-18-12)10-16-13(15)17-11-6-3-4-7-11/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine?
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine has a molecular weight of 265.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 78963230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).