1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

C15H28IN3S — CID 111987696

IUPAC1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NCC(C)c1cccs1.I
InChIInChI=1S/C15H27N3S.HI/c1-5-13(6-2)11-18-15(16-4)17-10-12(3)14-8-7-9-19-14;/h7-9,12-13H,5-6,10-11H2,1-4H3,(H2,16,17,18);1H
InChIKeyLPWAYFLZVGCPPM-UHFFFAOYSA-N
MW409.38 g/mol
LogP4.07
Rot. Bonds7

About 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111987696) has the molecular formula C15H28IN3S and a molecular weight of 409.38 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
PubChem CID111987696
Molecular FormulaC15H28IN3S
Molecular Weight409.38 g/mol
Exact Mass409.10
IUPAC Name1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESCCC(CC)CN/C(=N\C)NCC(C)c1cccs1.I
InChIInChI=1S/C15H27N3S.HI/c1-5-13(6-2)11-18-15(16-4)17-10-12(3)14-8-7-9-19-14;/h7-9,12-13H,5-6,10-11H2,1-4H3,(H2,16,17,18);1H
InChIKeyLPWAYFLZVGCPPM-UHFFFAOYSA-N
XLogP4.07
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 54.07
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'}

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Related Compounds

1-benzyl-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine
CID 111790160
2-methyl-1-[(4-methylphenyl)methyl]-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111794518
2-methyl-1-[(2-methylphenyl)methyl]-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111796745
1-(3-butoxypropyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111794458
1-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine
CID 111794615
2-methyl-1-(3-phenylpropyl)-3-(2-thiophen-2-ylpropyl)guanidine
CID 111793503
2-methyl-1-(2-piperidin-1-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111798457
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111792794
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109404026
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111792265
2-methyl-1-(1-propylpiperidin-4-yl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111791692

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111987696) is 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is CCC(CC)CN/C(=N\C)NCC(C)c1cccs1.I.
What is the InChIKey of 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The InChIKey is LPWAYFLZVGCPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S.HI/c1-5-13(6-2)11-18-15(16-4)17-10-12(3)14-8-7-9-19-14;/h7-9,12-13H,5-6,10-11H2,1-4H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 409.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111987696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).