1,2-didecylguanidine

C21H45N3 — CID 23103964

IUPAC1,2-didecylguanidine
SMILESCCCCCCCCCC/N=C(\N)NCCCCCCCCCC
InChIInChI=1S/C21H45N3/c1-3-5-7-9-11-13-15-17-19-23-21(22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H3,22,23,24)
InChIKeyQGLXFWFUPYCBAF-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.17
Rot. Bonds18

About 1,2-didecylguanidine

1,2-didecylguanidine (PubChem CID 23103964) has the molecular formula C21H45N3 and a molecular weight of 339.61 g/mol. Its IUPAC name is 1,2-didecylguanidine.

Molecular Properties

Compound Name1,2-didecylguanidine
PubChem CID23103964
Molecular FormulaC21H45N3
Molecular Weight339.61 g/mol
Exact Mass339.36
IUPAC Name1,2-didecylguanidine
SMILESCCCCCCCCCC/N=C(\N)NCCCCCCCCCC
InChIInChI=1S/C21H45N3/c1-3-5-7-9-11-13-15-17-19-23-21(22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H3,22,23,24)
InChIKeyQGLXFWFUPYCBAF-UHFFFAOYSA-N
XLogP6.17
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.17
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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Frequently Asked Questions

What is the IUPAC name of 1,2-didecylguanidine?
The IUPAC name of 1,2-didecylguanidine (CID 23103964) is 1,2-didecylguanidine.
What is the SMILES notation for 1,2-didecylguanidine?
The canonical SMILES for 1,2-didecylguanidine is CCCCCCCCCC/N=C(\N)NCCCCCCCCCC.
What is the InChIKey of 1,2-didecylguanidine?
The InChIKey is QGLXFWFUPYCBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N3/c1-3-5-7-9-11-13-15-17-19-23-21(22)24-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H3,22,23,24).
What are the key properties of 1,2-didecylguanidine?
1,2-didecylguanidine has a molecular weight of 339.61 g/mol, XLogP of 6.17, 18 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-didecylguanidine is sourced from PubChem (CID 23103964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).