2-(5-methylhexyl)-1-phenylguanidine;hydroiodide

C14H24IN3 — CID 111456334

IUPAC2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
SMILESCC(C)CCCC/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C14H23N3.HI/c1-12(2)8-6-7-11-16-14(15)17-13-9-4-3-5-10-13;/h3-5,9-10,12H,6-8,11H2,1-2H3,(H3,15,16,17);1H
InChIKeyDFVVSXWCKZVZSP-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.86
Rot. Bonds6

About 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide

2-(5-methylhexyl)-1-phenylguanidine;hydroiodide (PubChem CID 111456334) has the molecular formula C14H24IN3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
PubChem CID111456334
Molecular FormulaC14H24IN3
Molecular Weight361.27 g/mol
Exact Mass361.10
IUPAC Name2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
SMILESCC(C)CCCC/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C14H23N3.HI/c1-12(2)8-6-7-11-16-14(15)17-13-9-4-3-5-10-13;/h3-5,9-10,12H,6-8,11H2,1-2H3,(H3,15,16,17);1H
InChIKeyDFVVSXWCKZVZSP-UHFFFAOYSA-N
XLogP3.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-dodecyl-1-phenylguanidine
CID 101076594
2-[3-[di(propan-2-yl)amino]propyl]-1-phenylguanidine
CID 111542714
2-(3-methylsulfonylpropyl)-1-phenylguanidine;hydroiodide
CID 110912521
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
3-[[amino(anilino)methylidene]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 110913325
2-[3-[benzyl(methyl)amino]butyl]-1-phenylguanidine;hydroiodide
CID 111549332
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
2-[3-(2-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111803609
1-phenyl-2-[2-(3,4,5-trifluorophenyl)ethyl]guanidine;hydroiodide
CID 110017725
1-phenyl-2-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110915897
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide (CID 111456334) is 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide is CC(C)CCCC/N=C(\N)Nc1ccccc1.I.
What is the InChIKey of 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide?
The InChIKey is DFVVSXWCKZVZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.HI/c1-12(2)8-6-7-11-16-14(15)17-13-9-4-3-5-10-13;/h3-5,9-10,12H,6-8,11H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide?
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide has a molecular weight of 361.27 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexyl)-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 111456334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).