2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide

C10H25IN4 — CID 110911998

IUPAC2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCCN(CC)CC/N=C(\N)NC(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-5-14(6-2)8-7-12-10(11)13-9(3)4;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H
InChIKeyQKERYIINOTYRNT-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.26
Rot. Bonds6

About 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide

2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide (PubChem CID 110911998) has the molecular formula C10H25IN4 and a molecular weight of 328.24 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide
PubChem CID110911998
Molecular FormulaC10H25IN4
Molecular Weight328.24 g/mol
Exact Mass328.11
IUPAC Name2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide
SMILESCCN(CC)CC/N=C(\N)NC(C)C.I
InChIInChI=1S/C10H24N4.HI/c1-5-14(6-2)8-7-12-10(11)13-9(3)4;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H
InChIKeyQKERYIINOTYRNT-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
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-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide (CID 110911998) is 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide is CCN(CC)CC/N=C(\N)NC(C)C.I.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide?
The InChIKey is QKERYIINOTYRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4.HI/c1-5-14(6-2)8-7-12-10(11)13-9(3)4;/h9H,5-8H2,1-4H3,(H3,11,12,13);1H.
What are the key properties of 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide?
2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide has a molecular weight of 328.24 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 110911998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).