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

C10H25IN4 — CID 110921199

IUPAC1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN(C)CCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-5-14(4)7-6-12-10(11)13-8-9(2)3;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H
InChIKeyWHRZSHCGPSBZIU-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.12
Rot. Bonds6

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

1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 110921199) has the molecular formula C10H25IN4 and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID110921199
Molecular FormulaC10H25IN4
Molecular Weight328.24 g/mol
Exact Mass328.11
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCN(C)CCN/C(N)=N/CC(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-5-14(4)7-6-12-10(11)13-8-9(2)3;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H
InChIKeyWHRZSHCGPSBZIU-UHFFFAOYSA-N
XLogP1.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 51.12
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-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 110921199) is 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is CCN(C)CCN/C(N)=N/CC(C)C.I.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is WHRZSHCGPSBZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.HI/c1-5-14(4)7-6-12-10(11)13-8-9(2)3;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H.
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 328.24 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110921199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).