1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

C13H21N3S — CID 75532788

IUPAC1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NC1CCCC1
InChIInChI=1S/C13H21N3S/c1-14-13(16-11-5-2-3-6-11)15-9-8-12-7-4-10-17-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,14,15,16)
InChIKeyWCHTVZDZGDUNGI-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.40
Rot. Bonds4

About 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine

1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 75532788) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID75532788
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
SMILESC/N=C(\NCCc1cccs1)NC1CCCC1
InChIInChI=1S/C13H21N3S/c1-14-13(16-11-5-2-3-6-11)15-9-8-12-7-4-10-17-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,14,15,16)
InChIKeyWCHTVZDZGDUNGI-UHFFFAOYSA-N
XLogP2.40
TPSA36.42 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 ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine (CID 75532788) is 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is C/N=C(\NCCc1cccs1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is WCHTVZDZGDUNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-14-13(16-11-5-2-3-6-11)15-9-8-12-7-4-10-17-12/h4,7,10-11H,2-3,5-6,8-9H2,1H3,(H2,14,15,16).
What are the key properties of 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine?
1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 251.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methyl-3-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 75532788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).