1-cyano-2,3-dicyclohexylguanidine

C14H24N4 — CID 2825084

IUPAC1-cyano-2,3-dicyclohexylguanidine
SMILESN#CN/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H24N4/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h12-13H,1-10H2,(H2,16,17,18)
InChIKeyVKGAWIJMCJWARD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.67
Rot. Bonds2

About 1-cyano-2,3-dicyclohexylguanidine

1-cyano-2,3-dicyclohexylguanidine (PubChem CID 2825084) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-cyano-2,3-dicyclohexylguanidine.

Molecular Properties

Compound Name1-cyano-2,3-dicyclohexylguanidine
PubChem CID2825084
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-cyano-2,3-dicyclohexylguanidine
SMILESN#CN/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H24N4/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h12-13H,1-10H2,(H2,16,17,18)
InChIKeyVKGAWIJMCJWARD-UHFFFAOYSA-N
XLogP2.67
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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-cyano-2,3-dicyclohexylguanidine?
The IUPAC name of 1-cyano-2,3-dicyclohexylguanidine (CID 2825084) is 1-cyano-2,3-dicyclohexylguanidine.
What is the SMILES notation for 1-cyano-2,3-dicyclohexylguanidine?
The canonical SMILES for 1-cyano-2,3-dicyclohexylguanidine is N#CN/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyano-2,3-dicyclohexylguanidine?
The InChIKey is VKGAWIJMCJWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h12-13H,1-10H2,(H2,16,17,18).
What are the key properties of 1-cyano-2,3-dicyclohexylguanidine?
1-cyano-2,3-dicyclohexylguanidine has a molecular weight of 248.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2,3-dicyclohexylguanidine is sourced from PubChem (CID 2825084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).