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

C14H23N3S — CID 62370058

IUPAC2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
SMILESCCCC(N/C(N)=N/C1CCCC1)c1cccs1
InChIInChI=1S/C14H23N3S/c1-2-6-12(13-9-5-10-18-13)17-14(15)16-11-7-3-4-8-11/h5,9-12H,2-4,6-8H2,1H3,(H3,15,16,17)
InChIKeyIDKOMXPWIILESU-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.44
Rot. Bonds5

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

2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine (PubChem CID 62370058) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
PubChem CID62370058
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine
SMILESCCCC(N/C(N)=N/C1CCCC1)c1cccs1
InChIInChI=1S/C14H23N3S/c1-2-6-12(13-9-5-10-18-13)17-14(15)16-11-7-3-4-8-11/h5,9-12H,2-4,6-8H2,1H3,(H3,15,16,17)
InChIKeyIDKOMXPWIILESU-UHFFFAOYSA-N
XLogP3.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.44
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-ylpropyl)guanidine
CID 62370226
1-amino-2-cyclohexyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513895
3-amino-N-(1-thiophen-2-ylbutyl)cyclohexane-1-carboxamide
CID 63045756
N-(1-thiophen-2-ylbutyl)pyrrolidine-2-carboxamide
CID 54962408
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
1-amino-2-cyclopropyl-3-(1-thiophen-2-ylpropyl)guanidine
CID 116513900
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
CID 131230047
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(1-thiophen-2-ylbutyl)butanamide
CID 76921572
2-propyl-1-(1-thiophen-2-ylpropyl)guanidine
CID 62362455
N'-(1-thiophen-2-ylbutyl)cyclopentanecarboximidamide
CID 55158236
1-carbamothioyl-N-(1-thiophen-2-ylbutyl)cyclobutane-1-carboxamide
CID 80589308
N'-hydroxy-2-(1-thiophen-2-ylbutylamino)ethanimidamide
CID 77031722

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine?
The IUPAC name of 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine (CID 62370058) is 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine.
What is the SMILES notation for 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine?
The canonical SMILES for 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine is CCCC(N/C(N)=N/C1CCCC1)c1cccs1.
What is the InChIKey of 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine?
The InChIKey is IDKOMXPWIILESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-2-6-12(13-9-5-10-18-13)17-14(15)16-11-7-3-4-8-11/h5,9-12H,2-4,6-8H2,1H3,(H3,15,16,17).
What are the key properties of 2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine?
2-cyclopentyl-1-(1-thiophen-2-ylbutyl)guanidine has a molecular weight of 265.43 g/mol, XLogP of 3.44, 5 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-ylbutyl)guanidine is sourced from PubChem (CID 62370058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).