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

C11H27IN4 — CID 110911999

IUPAC1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
SMILESCCN(CC)CC/N=C(\N)NC(C)(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-6-15(7-2)9-8-13-10(12)14-11(3,4)5;/h6-9H2,1-5H3,(H3,12,13,14);1H
InChIKeyQYCFEAHXPVSURU-UHFFFAOYSA-N
MW342.27 g/mol
LogP1.65
Rot. Bonds5

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

1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide (PubChem CID 110911999) has the molecular formula C11H27IN4 and a molecular weight of 342.27 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
PubChem CID110911999
Molecular FormulaC11H27IN4
Molecular Weight342.27 g/mol
Exact Mass342.13
IUPAC Name1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
SMILESCCN(CC)CC/N=C(\N)NC(C)(C)C.I
InChIInChI=1S/C11H26N4.HI/c1-6-15(7-2)9-8-13-10(12)14-11(3,4)5;/h6-9H2,1-5H3,(H3,12,13,14);1H
InChIKeyQYCFEAHXPVSURU-UHFFFAOYSA-N
XLogP1.65
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

N-tert-butyl-N'-[2-(diethylamino)ethyl]propanimidamide
CID 162702427
1-tert-butyl-2-[3-(dimethylamino)propyl]guanidine;hydroiodide
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1-tert-butyl-2-[7-(dimethylamino)heptyl]guanidine;hydroiodide
CID 111084886
2-[2-[ethyl(propyl)amino]ethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111600581
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
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1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 111089051
2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
CID 104920863
1-tert-butyl-2-(2-methylsulfonylethyl)guanidine
CID 62362821
2-[4-(diethylamino)butyl]-1-propan-2-ylguanidine;hydroiodide
CID 111059974
1-tert-butyl-2-(2-cyclopentylethyl)guanidine
CID 62363522
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
1-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine
CID 63365218

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide (CID 110911999) is 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide is CCN(CC)CC/N=C(\N)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
The InChIKey is QYCFEAHXPVSURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4.HI/c1-6-15(7-2)9-8-13-10(12)14-11(3,4)5;/h6-9H2,1-5H3,(H3,12,13,14);1H.
What are the key properties of 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide has a molecular weight of 342.27 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110911999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).