2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine

C8H14N4 — CID 6179072

IUPAC2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C\C1CC=CCC1
InChIInChI=1S/C8H14N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H4,9,10,12)/b11-6-
InChIKeyVMCFVFIAPDALDC-WDZFZDKYSA-N
MW166.23 g/mol
LogP0.60
Rot. Bonds2

About 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine

2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine (PubChem CID 6179072) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine
PubChem CID6179072
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C\C1CC=CCC1
InChIInChI=1S/C8H14N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H4,9,10,12)/b11-6-
InChIKeyVMCFVFIAPDALDC-WDZFZDKYSA-N
XLogP0.60
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine (CID 6179072) is 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine is NC(N)=N/N=C\C1CC=CCC1.
What is the InChIKey of 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine?
The InChIKey is VMCFVFIAPDALDC-WDZFZDKYSA-N. The full InChI is InChI=1S/C8H14N4/c9-8(10)12-11-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H4,9,10,12)/b11-6-.
What are the key properties of 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine?
2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine has a molecular weight of 166.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-cyclohex-3-en-1-ylmethylideneamino]guanidine is sourced from PubChem (CID 6179072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).