2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide

C13H22IN3O — CID 111799989

IUPAC2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(CO)c1ccccc1.I
InChIInChI=1S/C13H21N3O.HI/c1-2-8-15-13(14)16-9-12(10-17)11-6-4-3-5-7-11;/h3-7,12,17H,2,8-10H2,1H3,(H3,14,15,16);1H
InChIKeyJYOKYSFSVRWWLN-UHFFFAOYSA-N
MW363.24 g/mol
LogP1.69
Rot. Bonds6

About 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide

2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide (PubChem CID 111799989) has the molecular formula C13H22IN3O and a molecular weight of 363.24 g/mol. Its IUPAC name is 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
PubChem CID111799989
Molecular FormulaC13H22IN3O
Molecular Weight363.24 g/mol
Exact Mass363.08
IUPAC Name2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide
SMILESCCCN/C(N)=N/CC(CO)c1ccccc1.I
InChIInChI=1S/C13H21N3O.HI/c1-2-8-15-13(14)16-9-12(10-17)11-6-4-3-5-7-11;/h3-7,12,17H,2,8-10H2,1H3,(H3,14,15,16);1H
InChIKeyJYOKYSFSVRWWLN-UHFFFAOYSA-N
XLogP1.69
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 51.69
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

2-(3-hydroxy-2-phenylpropyl)-1-octylguanidine;hydroiodide
CID 111799965
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
2-(3-hydroxy-2-phenylpropyl)-1-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111799974
1-(4-ethylphenyl)-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 111799951
1-butyl-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030277
2-(3-hydroxy-2-phenylpropyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111799936
2-(3-hydroxy-2-phenylpropyl)-1-(6-methylheptan-2-yl)guanidine
CID 111799938
2-(2,2-diphenylethyl)-1-ethylguanidine
CID 111031160
2-[2-(3-chlorophenyl)-2-methoxyethyl]-1-propylguanidine;hydroiodide
CID 111821692
2-(3-hydroxy-2-phenylpropyl)-1-(3-propan-2-ylphenyl)guanidine
CID 111799934
1-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
2-[2-ethyl-2-(1-phenylethylamino)butyl]-1-propylguanidine;hydroiodide
CID 111810371

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide?
The IUPAC name of 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide (CID 111799989) is 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide?
The canonical SMILES for 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide is CCCN/C(N)=N/CC(CO)c1ccccc1.I.
What is the InChIKey of 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide?
The InChIKey is JYOKYSFSVRWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.HI/c1-2-8-15-13(14)16-9-12(10-17)11-6-4-3-5-7-11;/h3-7,12,17H,2,8-10H2,1H3,(H3,14,15,16);1H.
What are the key properties of 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide?
2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide has a molecular weight of 363.24 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-phenylpropyl)-1-propylguanidine;hydroiodide is sourced from PubChem (CID 111799989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).