2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide

C13H22IN3 — CID 75494302

IUPAC2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide
SMILESCCC(CC)(CN=C(N)N)c1ccccc1.I
InChIInChI=1S/C13H21N3.HI/c1-3-13(4-2,10-16-12(14)15)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H4,14,15,16);1H
InChIKeyQFJJSBAEKWKQGK-UHFFFAOYSA-N
MW347.24 g/mol
LogP2.64
Rot. Bonds5

About 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide

2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide (PubChem CID 75494302) has the molecular formula C13H22IN3 and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide
PubChem CID75494302
Molecular FormulaC13H22IN3
Molecular Weight347.24 g/mol
Exact Mass347.09
IUPAC Name2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide
SMILESCCC(CC)(CN=C(N)N)c1ccccc1.I
InChIInChI=1S/C13H21N3.HI/c1-3-13(4-2,10-16-12(14)15)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H4,14,15,16);1H
InChIKeyQFJJSBAEKWKQGK-UHFFFAOYSA-N
XLogP2.64
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-ethyl-2-(2-ethyl-2-phenylbutyl)-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111988200
2-(2,2-dimethyl-3-phenylpropyl)guanidine;hydroiodide
CID 111425055
N-[2-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111694390
3-(chloromethyl)pentan-3-ylbenzene
CID 65439114
1-[4-[[N-ethyl-N'-(2-ethyl-2-phenylbutyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111694397
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-ethyl-N-methyl-2-phenylbutan-1-amine
CID 62596018
1-(2-ethyl-2-phenylbutyl)-2,3-dimethylguanidine;hydroiodide
CID 111465793
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
3-ethyl-2-(2-ethyl-2-phenylbutyl)-1-methyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386804
N'-[2-(4-chlorophenyl)-2-ethylbutyl]morpholine-4-carboximidamide;hydroiodide
CID 111097140
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide (CID 75494302) is 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide is CCC(CC)(CN=C(N)N)c1ccccc1.I.
What is the InChIKey of 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide?
The InChIKey is QFJJSBAEKWKQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.HI/c1-3-13(4-2,10-16-12(14)15)11-8-6-5-7-9-11;/h5-9H,3-4,10H2,1-2H3,(H4,14,15,16);1H.
What are the key properties of 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide?
2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide has a molecular weight of 347.24 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-phenylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 75494302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).