1-cyclohexyl-2-(11-methyldodecyl)guanidine

C20H41N3 — CID 70255433

IUPAC1-cyclohexyl-2-(11-methyldodecyl)guanidine
SMILESCC(C)CCCCCCCCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C20H41N3/c1-18(2)14-10-7-5-3-4-6-8-13-17-22-20(21)23-19-15-11-9-12-16-19/h18-19H,3-17H2,1-2H3,(H3,21,22,23)
InChIKeyROKXEONWDPLLCJ-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.39
Rot. Bonds12

About 1-cyclohexyl-2-(11-methyldodecyl)guanidine

1-cyclohexyl-2-(11-methyldodecyl)guanidine (PubChem CID 70255433) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 1-cyclohexyl-2-(11-methyldodecyl)guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-(11-methyldodecyl)guanidine
PubChem CID70255433
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name1-cyclohexyl-2-(11-methyldodecyl)guanidine
SMILESCC(C)CCCCCCCCCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C20H41N3/c1-18(2)14-10-7-5-3-4-6-8-13-17-22-20(21)23-19-15-11-9-12-16-19/h18-19H,3-17H2,1-2H3,(H3,21,22,23)
InChIKeyROKXEONWDPLLCJ-UHFFFAOYSA-N
XLogP5.39
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.39
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-cyclohexyl-2-(11-methyldodecyl)guanidine?
The IUPAC name of 1-cyclohexyl-2-(11-methyldodecyl)guanidine (CID 70255433) is 1-cyclohexyl-2-(11-methyldodecyl)guanidine.
What is the SMILES notation for 1-cyclohexyl-2-(11-methyldodecyl)guanidine?
The canonical SMILES for 1-cyclohexyl-2-(11-methyldodecyl)guanidine is CC(C)CCCCCCCCCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(11-methyldodecyl)guanidine?
The InChIKey is ROKXEONWDPLLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/c1-18(2)14-10-7-5-3-4-6-8-13-17-22-20(21)23-19-15-11-9-12-16-19/h18-19H,3-17H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-cyclohexyl-2-(11-methyldodecyl)guanidine?
1-cyclohexyl-2-(11-methyldodecyl)guanidine has a molecular weight of 323.57 g/mol, XLogP of 5.39, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(11-methyldodecyl)guanidine is sourced from PubChem (CID 70255433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).