2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide

C15H26IN3O — CID 111099775

IUPAC2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(O)Cc1ccccc1.I
InChIInChI=1S/C15H25N3O.HI/c1-12(2)8-9-17-15(16)18-11-14(19)10-13-6-4-3-5-7-13;/h3-7,12,14,19H,8-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyJFVGWDLJEOEGNY-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.16
Rot. Bonds7

About 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide

2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 111099775) has the molecular formula C15H26IN3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
PubChem CID111099775
Molecular FormulaC15H26IN3O
Molecular Weight391.30 g/mol
Exact Mass391.11
IUPAC Name2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide
SMILESCC(C)CCN/C(N)=N/CC(O)Cc1ccccc1.I
InChIInChI=1S/C15H25N3O.HI/c1-12(2)8-9-17-15(16)18-11-14(19)10-13-6-4-3-5-7-13;/h3-7,12,14,19H,8-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyJFVGWDLJEOEGNY-UHFFFAOYSA-N
XLogP2.16
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.16
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-(3-methylbutyl)-2-(2-phenylpropyl)guanidine;hydroiodide
CID 111030275
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-hydroxy-3-phenylpropyl)guanidine;hydroiodide
CID 111099797
2-(2-hydroxy-3-phenylpropyl)-1-phenylguanidine;hydroiodide
CID 111099855
2-(3-hydroxy-2-phenylpropyl)-1-(3-methylbutyl)guanidine
CID 111799956
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
2-(3-methylbutyl)-1-(2-phenylethyl)guanidine
CID 111022873
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111067385
1-(3-methylbutyl)-2-[(3-methylphenyl)methyl]guanidine;hydroiodide
CID 111046250
2-(2-hydroxyoctyl)-1-(2-phenylethyl)guanidine
CID 10991060
1-(3-methylbutyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111023317
1-(2,6-diethylphenyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099800
2-[2-hydroxy-3-(4-iodophenoxy)propyl]-1-(3-methylbutyl)guanidine
CID 111097317

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide (CID 111099775) is 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide is CC(C)CCN/C(N)=N/CC(O)Cc1ccccc1.I.
What is the InChIKey of 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is JFVGWDLJEOEGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.HI/c1-12(2)8-9-17-15(16)18-11-14(19)10-13-6-4-3-5-7-13;/h3-7,12,14,19H,8-11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide?
2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-phenylpropyl)-1-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 111099775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).