2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide

C20H42IN3 — CID 67945426

IUPAC2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)CCCC(C)N/C(N)=N/C1CCCCC1.I
InChIInChI=1S/C20H41N3.HI/c1-16(2)10-8-11-17(3)12-9-13-18(4)22-20(21)23-19-14-6-5-7-15-19;/h16-19H,5-15H2,1-4H3,(H3,21,22,23);1H
InChIKeyVRIQACGKPWTQJA-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.86
Rot. Bonds10

About 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide

2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide (PubChem CID 67945426) has the molecular formula C20H42IN3 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide
PubChem CID67945426
Molecular FormulaC20H42IN3
Molecular Weight451.48 g/mol
Exact Mass451.24
IUPAC Name2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)CCCC(C)N/C(N)=N/C1CCCCC1.I
InChIInChI=1S/C20H41N3.HI/c1-16(2)10-8-11-17(3)12-9-13-18(4)22-20(21)23-19-14-6-5-7-15-19;/h16-19H,5-15H2,1-4H3,(H3,21,22,23);1H
InChIKeyVRIQACGKPWTQJA-UHFFFAOYSA-N
XLogP5.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide (CID 67945426) is 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide is CC(C)CCCC(C)CCCC(C)N/C(N)=N/C1CCCCC1.I.
What is the InChIKey of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide?
The InChIKey is VRIQACGKPWTQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3.HI/c1-16(2)10-8-11-17(3)12-9-13-18(4)22-20(21)23-19-14-6-5-7-15-19;/h16-19H,5-15H2,1-4H3,(H3,21,22,23);1H.
What are the key properties of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide?
2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide has a molecular weight of 451.48 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 67945426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).