2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide

C11H27IN4 — CID 110912001

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide
SMILESCCN/C(N)=N/CCN(C(C)C)C(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-6-13-11(12)14-7-8-15(9(2)3)10(4)5;/h9-10H,6-8H2,1-5H3,(H3,12,13,14);1H
InChIKeyTYXSPSVLTAAHPL-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide

2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide (PubChem CID 110912001) has the molecular formula C11H27IN4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide
PubChem CID110912001
Molecular FormulaC11H27IN4
Molecular Weight342.27 g/mol
Exact Mass342.13
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide
SMILESCCN/C(N)=N/CCN(C(C)C)C(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-6-13-11(12)14-7-8-15(9(2)3)10(4)5;/h9-10H,6-8H2,1-5H3,(H3,12,13,14);1H
InChIKeyTYXSPSVLTAAHPL-UHFFFAOYSA-N
XLogP1.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.65
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

2-methyl-1-[2-[[(E)-N'-methylcarbamimidoyl]-sec-butyl-amino]ethyl]-1-sec-butyl-guanidine
CID 469977
1,1-Diethyl-2,3-di(propan-2-yl)guanidine
CID 15827441
N-(2-fluoroethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 117682042
2-(2-fluoroethyl)-1-[(2S)-3-(methylamino)butan-2-yl]guanidine
CID 174028362
1-[2-(Diaminomethylideneamino)ethyl]-2-propylguanidine
CID 90981022
1-N,1-N',4-N,4-N'-tetra(propan-2-yl)piperazine-1,4-dicarboximidamide
CID 101405087
[[2-[Bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
CID 123835509
Tetramethylguanidino-tris(2-aminoethyl)amine
CID 129851468
Azanium;1,2,3-tri(propan-2-yl)guanidine;iodide
CID 139145548
1-Ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471300
1-Ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109471301
1-Ethyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471304

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide (CID 110912001) is 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide is CCN/C(N)=N/CCN(C(C)C)C(C)C.I.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide?
The InChIKey is TYXSPSVLTAAHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4.HI/c1-6-13-11(12)14-7-8-15(9(2)3)10(4)5;/h9-10H,6-8H2,1-5H3,(H3,12,13,14);1H.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide?
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide has a molecular weight of 342.27 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-1-ethylguanidine;hydroiodide is sourced from PubChem (CID 110912001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).