1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine

C12H20N4 — CID 142011697

IUPAC1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine
SMILESCC(C)=CCC/C(C)=C\C/N=C(\N)NC#N
InChIInChI=1S/C12H20N4/c1-10(2)5-4-6-11(3)7-8-15-12(14)16-9-13/h5,7H,4,6,8H2,1-3H3,(H3,14,15,16)/b11-7-
InChIKeyPWXPEHRHMOOQDO-XFFZJAGNSA-N
MW220.32 g/mol
LogP2.06
Rot. Bonds5

About 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine

1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine (PubChem CID 142011697) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine
PubChem CID142011697
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine
SMILESCC(C)=CCC/C(C)=C\C/N=C(\N)NC#N
InChIInChI=1S/C12H20N4/c1-10(2)5-4-6-11(3)7-8-15-12(14)16-9-13/h5,7H,4,6,8H2,1-3H3,(H3,14,15,16)/b11-7-
InChIKeyPWXPEHRHMOOQDO-XFFZJAGNSA-N
XLogP2.06
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.06
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine?
The IUPAC name of 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine (CID 142011697) is 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine.
What is the SMILES notation for 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine?
The canonical SMILES for 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine is CC(C)=CCC/C(C)=C\C/N=C(\N)NC#N.
What is the InChIKey of 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine?
The InChIKey is PWXPEHRHMOOQDO-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)5-4-6-11(3)7-8-15-12(14)16-9-13/h5,7H,4,6,8H2,1-3H3,(H3,14,15,16)/b11-7-.
What are the key properties of 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine?
1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine has a molecular weight of 220.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]guanidine is sourced from PubChem (CID 142011697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).