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

C20H41N3 — CID 67849622

IUPAC2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine
SMILESCC(C)CCCC(C)CCCC(C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C20H41N3/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)
InChIKeyPQPPGGOSJNOSQI-UHFFFAOYSA-N
MW323.57 g/mol
LogP5.24
Rot. Bonds10

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

2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine (PubChem CID 67849622) has the molecular formula C20H41N3 and a molecular weight of 323.57 g/mol. Its IUPAC name is 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine
PubChem CID67849622
Molecular FormulaC20H41N3
Molecular Weight323.57 g/mol
Exact Mass323.33
IUPAC Name2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine
SMILESCC(C)CCCC(C)CCCC(C)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C20H41N3/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)
InChIKeyPQPPGGOSJNOSQI-UHFFFAOYSA-N
XLogP5.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.57
LogP ≤ 55.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine (CID 67849622) is 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine is CC(C)CCCC(C)CCCC(C)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine?
The InChIKey is PQPPGGOSJNOSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3/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).
What are the key properties of 2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine?
2-cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine has a molecular weight of 323.57 g/mol, XLogP of 5.24, 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 is sourced from PubChem (CID 67849622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).