2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine

C14H27N5 — CID 68500912

IUPAC2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
SMILESN/C(=N\C1CCCCC1)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N5/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2,(H5,15,16,17,18,19)
InChIKeyZDDZEGDQHYIYNA-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.87
Rot. Bonds2

About 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine

2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine (PubChem CID 68500912) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
PubChem CID68500912
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine
SMILESN/C(=N\C1CCCCC1)N/C(N)=N/C1CCCCC1
InChIInChI=1S/C14H27N5/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2,(H5,15,16,17,18,19)
InChIKeyZDDZEGDQHYIYNA-UHFFFAOYSA-N
XLogP1.87
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(N'-cyclohexylcarbamimidoyl)guanidine?
The IUPAC name of 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine (CID 68500912) is 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine is N/C(=N\C1CCCCC1)N/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine?
The InChIKey is ZDDZEGDQHYIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c15-13(17-11-7-3-1-4-8-11)19-14(16)18-12-9-5-2-6-10-12/h11-12H,1-10H2,(H5,15,16,17,18,19).
What are the key properties of 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine?
2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine has a molecular weight of 265.40 g/mol, XLogP of 1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(N'-cyclohexylcarbamimidoyl)guanidine is sourced from PubChem (CID 68500912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).