2-dodecyl-1-phenylguanidine

C19H33N3 — CID 101076594

IUPAC2-dodecyl-1-phenylguanidine
SMILESCCCCCCCCCCCC/N=C(\N)Nc1ccccc1
InChIInChI=1S/C19H33N3/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H3,20,21,22)
InChIKeyZJFPHIFJVICLJD-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.33
Rot. Bonds12

About 2-dodecyl-1-phenylguanidine

2-dodecyl-1-phenylguanidine (PubChem CID 101076594) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 2-dodecyl-1-phenylguanidine.

Molecular Properties

Compound Name2-dodecyl-1-phenylguanidine
PubChem CID101076594
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name2-dodecyl-1-phenylguanidine
SMILESCCCCCCCCCCCC/N=C(\N)Nc1ccccc1
InChIInChI=1S/C19H33N3/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H3,20,21,22)
InChIKeyZJFPHIFJVICLJD-UHFFFAOYSA-N
XLogP5.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.33
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'}

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Related Compounds

2-hexyl-1-(3-methylphenyl)guanidine
CID 111023793
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
CID 111456334
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
2-hexyl-1-(2-phenylethyl)guanidine
CID 111022881
2-(3-methylsulfonylpropyl)-1-phenylguanidine;hydroiodide
CID 110912521
2-octyl-1-(2-phenylethyl)guanidine
CID 10903026
2-[3-[di(propan-2-yl)amino]propyl]-1-phenylguanidine
CID 111542714
2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-1-phenylguanidine?
The IUPAC name of 2-dodecyl-1-phenylguanidine (CID 101076594) is 2-dodecyl-1-phenylguanidine.
What is the SMILES notation for 2-dodecyl-1-phenylguanidine?
The canonical SMILES for 2-dodecyl-1-phenylguanidine is CCCCCCCCCCCC/N=C(\N)Nc1ccccc1.
What is the InChIKey of 2-dodecyl-1-phenylguanidine?
The InChIKey is ZJFPHIFJVICLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-2-3-4-5-6-7-8-9-10-14-17-21-19(20)22-18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3,(H3,20,21,22).
What are the key properties of 2-dodecyl-1-phenylguanidine?
2-dodecyl-1-phenylguanidine has a molecular weight of 303.49 g/mol, XLogP of 5.33, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-1-phenylguanidine is sourced from PubChem (CID 101076594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).