2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

C12H22IN3S — CID 111022609

IUPAC2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCCCC/N=C(\N)NCCc1cccs1.I
InChIInChI=1S/C12H21N3S.HI/c1-2-3-4-8-14-12(13)15-9-7-11-6-5-10-16-11;/h5-6,10H,2-4,7-9H2,1H3,(H3,13,14,15);1H
InChIKeyZNVACRIGYQMFHM-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.00
Rot. Bonds7

About 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide

2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111022609) has the molecular formula C12H22IN3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111022609
Molecular FormulaC12H22IN3S
Molecular Weight367.30 g/mol
Exact Mass367.06
IUPAC Name2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCCCC/N=C(\N)NCCc1cccs1.I
InChIInChI=1S/C12H21N3S.HI/c1-2-3-4-8-14-12(13)15-9-7-11-6-5-10-16-11;/h5-6,10H,2-4,7-9H2,1H3,(H3,13,14,15);1H
InChIKeyZNVACRIGYQMFHM-UHFFFAOYSA-N
XLogP3.00
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-[4-(diethylamino)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111059984
2-[7-(dimethylamino)heptyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111084900
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-[4-(4-methylpiperazin-1-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111060171
2-[4-(4-methyl-1,3-thiazol-2-yl)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111098800
2-[2-(methanesulfonamido)ethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111044052
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111812324
N-[3-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752382
2-[3-[benzyl(methyl)amino]butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111600359
2-[4-(4-nitrophenyl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111805982
2-[3-[cyclohexyl(methyl)amino]propyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111057350

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111022609) is 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is CCCCC/N=C(\N)NCCc1cccs1.I.
What is the InChIKey of 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is ZNVACRIGYQMFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.HI/c1-2-3-4-8-14-12(13)15-9-7-11-6-5-10-16-11;/h5-6,10H,2-4,7-9H2,1H3,(H3,13,14,15);1H.
What are the key properties of 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide?
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 367.30 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111022609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).