1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

C11H27IN4 — CID 110912000

IUPAC1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN(CC)CCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4;/h10H,5-9H2,1-4H3,(H3,12,13,14);1H
InChIKeyFPIFCNGQXOXILU-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.51
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 110912000) has the molecular formula C11H27IN4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID110912000
Molecular FormulaC11H27IN4
Molecular Weight342.27 g/mol
Exact Mass342.13
IUPAC Name1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN(CC)CCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4;/h10H,5-9H2,1-4H3,(H3,12,13,14);1H
InChIKeyFPIFCNGQXOXILU-UHFFFAOYSA-N
XLogP1.51
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 51.51
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-[2-(Diaminomethylideneamino)ethyl]-2-propylguanidine
CID 90981022
[[2-[Bis(dimethylamino)methylideneamino]ethylamino]-(dimethylamino)methylidene]-dimethylazanium
CID 123835509
Tetramethylguanidino-tris(2-aminoethyl)amine
CID 129851468
1-Ethyl-2-(3-methylbutyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111548184
2-(2-Methylpropyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111803185
2-(2-Methylpropyl)-1-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111803186
1-Ethyl-2-(2-methylpropyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835600
1-Ethyl-2-(2-methylpropyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111835601
2-Methyl-1-(2-methylpropyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835610
2-Methyl-1-(2-methylpropyl)-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 111835611
2-Methyl-1-[1-[2-(methylamino)ethyl]-4,5-dihydroimidazol-2-yl]guanidine
CID 21026724
2-[(N,N'-dimethylcarbamimidoyl)amino]ethyl-trimethylazanium
CID 22977235

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 110912000) is 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is CCN(CC)CCN/C(N)=N/CC(C)C.I.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is FPIFCNGQXOXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4.HI/c1-5-15(6-2)8-7-13-11(12)14-9-10(3)4;/h10H,5-9H2,1-4H3,(H3,12,13,14);1H.
What are the key properties of 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 342.27 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110912000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).