1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide

C14H24IN3S — CID 111065001

IUPAC1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
SMILESCCc1ccc(C/N=C(\N)NC2CCCCC2)s1.I
InChIInChI=1S/C14H23N3S.HI/c1-2-12-8-9-13(18-12)10-16-14(15)17-11-6-4-3-5-7-11;/h8-9,11H,2-7,10H2,1H3,(H3,15,16,17);1H
InChIKeyWKXTZHUPYGRVBY-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.67
Rot. Bonds4

About 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide

1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide (PubChem CID 111065001) has the molecular formula C14H24IN3S and a molecular weight of 393.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
PubChem CID111065001
Molecular FormulaC14H24IN3S
Molecular Weight393.34 g/mol
Exact Mass393.07
IUPAC Name1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
SMILESCCc1ccc(C/N=C(\N)NC2CCCCC2)s1.I
InChIInChI=1S/C14H23N3S.HI/c1-2-12-8-9-13(18-12)10-16-14(15)17-11-6-4-3-5-7-11;/h8-9,11H,2-7,10H2,1H3,(H3,15,16,17);1H
InChIKeyWKXTZHUPYGRVBY-UHFFFAOYSA-N
XLogP3.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.67
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(5-ethylthiophen-2-yl)methyl]-1-hydroxyguanidine
CID 106015829
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 62525249
2-[(5-ethylthiophen-2-yl)methyl]-1-phenylguanidine;hydroiodide
CID 110925540
1-cyclohexyl-2-ethylguanidine
CID 18727697
ethyl 4-[[N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111046035
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
N-[(5-ethylthiophen-2-yl)methyl]cycloheptanamine
CID 43346127
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804422
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-cyclohexyl-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111817540

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide (CID 111065001) is 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide is CCc1ccc(C/N=C(\N)NC2CCCCC2)s1.I.
What is the InChIKey of 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is WKXTZHUPYGRVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S.HI/c1-2-12-8-9-13(18-12)10-16-14(15)17-11-6-4-3-5-7-11;/h8-9,11H,2-7,10H2,1H3,(H3,15,16,17);1H.
What are the key properties of 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 393.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111065001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).