1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide

C11H26IN3O — CID 111089051

IUPAC1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
SMILESCCC(O)(CC)C/N=C(\N)NC(C)(C)C.I
InChIInChI=1S/C11H25N3O.HI/c1-6-11(15,7-2)8-13-9(12)14-10(3,4)5;/h15H,6-8H2,1-5H3,(H3,12,13,14);1H
InChIKeyAOMQPUOEYNXTTJ-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.86
Rot. Bonds4

About 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide

1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide (PubChem CID 111089051) has the molecular formula C11H26IN3O and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
PubChem CID111089051
Molecular FormulaC11H26IN3O
Molecular Weight343.25 g/mol
Exact Mass343.11
IUPAC Name1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
SMILESCCC(O)(CC)C/N=C(\N)NC(C)(C)C.I
InChIInChI=1S/C11H25N3O.HI/c1-6-11(15,7-2)8-13-9(12)14-10(3,4)5;/h15H,6-8H2,1-5H3,(H3,12,13,14);1H
InChIKeyAOMQPUOEYNXTTJ-UHFFFAOYSA-N
XLogP1.86
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.86
H-Bond Donors ≤ 53
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-tert-butyl-2-(2-hydroxy-2-methylbutyl)guanidine
CID 63365218
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
tert-butyl N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]pentan-3-yl]carbamate
CID 111757891
2-(2-ethyl-2-hydroxybutyl)-1-(4-ethylphenyl)guanidine
CID 111089067
1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111028795
tert-butyl N-[1-[[amino-(tert-butylamino)methylidene]amino]-2-methylpropan-2-yl]carbamate
CID 111757731
1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
CID 110911999
1-tert-butyl-2-[2-(2-chlorophenyl)-2-hydroxypropyl]guanidine;hydroiodide
CID 110061971
1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
N-tert-butyl-2-[[N-ethyl-N'-(2-ethyl-2-hydroxybutyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111378837
2-[[amino-(tert-butylamino)methylidene]amino]-N-ethyl-N-methylacetamide
CID 104920863
1-tert-butyl-2-(3,3-difluoro-2-hydroxypropyl)guanidine
CID 103734430

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide (CID 111089051) is 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide is CCC(O)(CC)C/N=C(\N)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
The InChIKey is AOMQPUOEYNXTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.HI/c1-6-11(15,7-2)8-13-9(12)14-10(3,4)5;/h15H,6-8H2,1-5H3,(H3,12,13,14);1H.
What are the key properties of 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide?
1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide has a molecular weight of 343.25 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide is sourced from PubChem (CID 111089051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).