1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide

C15H26IN3O — CID 111035637

IUPAC1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCCOCC(C)C)cc1.I
InChIInChI=1S/C15H25N3O.HI/c1-12(2)11-19-10-4-9-17-15(16)18-14-7-5-13(3)6-8-14;/h5-8,12H,4,9-11H2,1-3H3,(H3,16,17,18);1H
InChIKeyFCOQGZFJSPBSFT-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide

1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide (PubChem CID 111035637) has the molecular formula C15H26IN3O and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
PubChem CID111035637
Molecular FormulaC15H26IN3O
Molecular Weight391.30 g/mol
Exact Mass391.11
IUPAC Name1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CCCOCC(C)C)cc1.I
InChIInChI=1S/C15H25N3O.HI/c1-12(2)11-19-10-4-9-17-15(16)18-14-7-5-13(3)6-8-14;/h5-8,12H,4,9-11H2,1-3H3,(H3,16,17,18);1H
InChIKeyFCOQGZFJSPBSFT-UHFFFAOYSA-N
XLogP3.40
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(cyclopropylmethoxy)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111035230
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methylpropoxy)propyl]guanidine
CID 111035662
2-[3-(2-methylphenoxy)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111803571
1-tert-butyl-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111035627
1-(4-methylphenyl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine;hydroiodide
CID 111818603
2-[3-(2-methylphenoxy)propyl]-1-(4-methylphenyl)guanidine
CID 111803572
2-[3-(2-hydroxyethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 110018624
2-[3-[2-methoxyethyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111066570
1-(4-ethylphenyl)-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111035813
2-[3-(2-methylpropoxy)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720784
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[3-(2-phenylethoxy)propyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111074342

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide (CID 111035637) is 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CCCOCC(C)C)cc1.I.
What is the InChIKey of 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
The InChIKey is FCOQGZFJSPBSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.HI/c1-12(2)11-19-10-4-9-17-15(16)18-14-7-5-13(3)6-8-14;/h5-8,12H,4,9-11H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide?
1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111035637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).