1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

C18H35IN4S — CID 111771423

IUPAC1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(C)c1ccsc1.I
InChIInChI=1S/C18H34N4S.HI/c1-6-22(7-2)11-8-9-16(4)21-18(19-5)20-13-15(3)17-10-12-23-14-17;/h10,12,14-16H,6-9,11,13H2,1-5H3,(H2,19,20,21);1H
InChIKeyLHOAFDIUBOCEMU-UHFFFAOYSA-N
MW466.48 g/mol
LogP4.15
Rot. Bonds10

About 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide

1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (PubChem CID 111771423) has the molecular formula C18H35IN4S and a molecular weight of 466.48 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
PubChem CID111771423
Molecular FormulaC18H35IN4S
Molecular Weight466.48 g/mol
Exact Mass466.16
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
SMILESCCN(CC)CCCC(C)N/C(=N\C)NCC(C)c1ccsc1.I
InChIInChI=1S/C18H34N4S.HI/c1-6-22(7-2)11-8-9-16(4)21-18(19-5)20-13-15(3)17-10-12-23-14-17;/h10,12,14-16H,6-9,11,13H2,1-5H3,(H2,19,20,21);1H
InChIKeyLHOAFDIUBOCEMU-UHFFFAOYSA-N
XLogP4.15
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

1-[3-(diethylamino)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111702757
1-(1-methoxypropan-2-yl)-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111773906
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111235490
1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702778
1-butyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703317
1-[2-(dimethylamino)-2-phenylethyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704496
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 110998601
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[2-(N-methylanilino)propyl]guanidine
CID 110998033
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110999466
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 110998960
1-[(5-bromothiophen-2-yl)methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999365
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999819

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide (CID 111771423) is 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is CCN(CC)CCCC(C)N/C(=N\C)NCC(C)c1ccsc1.I.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
The InChIKey is LHOAFDIUBOCEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4S.HI/c1-6-22(7-2)11-8-9-16(4)21-18(19-5)20-13-15(3)17-10-12-23-14-17;/h10,12,14-16H,6-9,11,13H2,1-5H3,(H2,19,20,21);1H.
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide?
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide has a molecular weight of 466.48 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111771423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).