2-(2-tetradecoxyphenyl)guanidine

C21H37N3O — CID 154378481

IUPAC2-(2-tetradecoxyphenyl)guanidine
SMILESCCCCCCCCCCCCCCOc1ccccc1N=C(N)N
InChIInChI=1S/C21H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-20-17-14-13-16-19(20)24-21(22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H4,22,23,24)
InChIKeyACVFUMJATDLAHK-UHFFFAOYSA-N
MW347.55 g/mol
LogP5.67
Rot. Bonds15

About 2-(2-tetradecoxyphenyl)guanidine

2-(2-tetradecoxyphenyl)guanidine (PubChem CID 154378481) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is 2-(2-tetradecoxyphenyl)guanidine.

Molecular Properties

Compound Name2-(2-tetradecoxyphenyl)guanidine
PubChem CID154378481
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Name2-(2-tetradecoxyphenyl)guanidine
SMILESCCCCCCCCCCCCCCOc1ccccc1N=C(N)N
InChIInChI=1S/C21H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-20-17-14-13-16-19(20)24-21(22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H4,22,23,24)
InChIKeyACVFUMJATDLAHK-UHFFFAOYSA-N
XLogP5.67
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.55
LogP ≤ 55.67
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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tetradecoxyphenyl)guanidine?
The IUPAC name of 2-(2-tetradecoxyphenyl)guanidine (CID 154378481) is 2-(2-tetradecoxyphenyl)guanidine.
What is the SMILES notation for 2-(2-tetradecoxyphenyl)guanidine?
The canonical SMILES for 2-(2-tetradecoxyphenyl)guanidine is CCCCCCCCCCCCCCOc1ccccc1N=C(N)N.
What is the InChIKey of 2-(2-tetradecoxyphenyl)guanidine?
The InChIKey is ACVFUMJATDLAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-25-20-17-14-13-16-19(20)24-21(22)23/h13-14,16-17H,2-12,15,18H2,1H3,(H4,22,23,24).
What are the key properties of 2-(2-tetradecoxyphenyl)guanidine?
2-(2-tetradecoxyphenyl)guanidine has a molecular weight of 347.55 g/mol, XLogP of 5.67, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tetradecoxyphenyl)guanidine is sourced from PubChem (CID 154378481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).