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

C12H29IN4 — CID 110912003

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCN(C(C)C)C(C)C.I
InChIInChI=1S/C12H28N4.HI/c1-9(2)15-12(13)14-7-8-16(10(3)4)11(5)6;/h9-11H,7-8H2,1-6H3,(H3,13,14,15);1H
InChIKeyJJCCSFXLRHBHCR-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.04
Rot. Bonds6

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

2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110912003) has the molecular formula C12H29IN4 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110912003
Molecular FormulaC12H29IN4
Molecular Weight356.30 g/mol
Exact Mass356.14
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCC(C)N/C(N)=N/CCN(C(C)C)C(C)C.I
InChIInChI=1S/C12H28N4.HI/c1-9(2)15-12(13)14-7-8-16(10(3)4)11(5)6;/h9-11H,7-8H2,1-6H3,(H3,13,14,15);1H
InChIKeyJJCCSFXLRHBHCR-UHFFFAOYSA-N
XLogP2.04
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.04
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-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide (CID 110912003) is 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide is CC(C)N/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-propan-2-ylguanidine;hydroiodide?
The InChIKey is JJCCSFXLRHBHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.HI/c1-9(2)15-12(13)14-7-8-16(10(3)4)11(5)6;/h9-11H,7-8H2,1-6H3,(H3,13,14,15);1H.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-[di(propan-2-yl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 356.30 g/mol, XLogP of 2.04, 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-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110912003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).