1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine

C15H26N4S — CID 116514079

IUPAC1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine
SMILESCc1cc(C(C)N/C(=N/C2CCCCC2)NN)c(C)s1
InChIInChI=1S/C15H26N4S/c1-10-9-14(12(3)20-10)11(2)17-15(19-16)18-13-7-5-4-6-8-13/h9,11,13H,4-8,16H2,1-3H3,(H2,17,18,19)
InChIKeyFVZXKIHATGAUOP-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.17
Rot. Bonds3

About 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine

1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine (PubChem CID 116514079) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine
PubChem CID116514079
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine
SMILESCc1cc(C(C)N/C(=N/C2CCCCC2)NN)c(C)s1
InChIInChI=1S/C15H26N4S/c1-10-9-14(12(3)20-10)11(2)17-15(19-16)18-13-7-5-4-6-8-13/h9,11,13H,4-8,16H2,1-3H3,(H2,17,18,19)
InChIKeyFVZXKIHATGAUOP-UHFFFAOYSA-N
XLogP3.17
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine (CID 116514079) is 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine is Cc1cc(C(C)N/C(=N/C2CCCCC2)NN)c(C)s1.
What is the InChIKey of 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine?
The InChIKey is FVZXKIHATGAUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-10-9-14(12(3)20-10)11(2)17-15(19-16)18-13-7-5-4-6-8-13/h9,11,13H,4-8,16H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine?
1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine has a molecular weight of 294.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclohexyl-3-[1-(2,5-dimethylthiophen-3-yl)ethyl]guanidine is sourced from PubChem (CID 116514079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).