2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine

C11H21N3 — CID 45269644

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine
SMILESCC(C)=CCC/C(C)=C/CN=C(N)N
InChIInChI=1S/C11H21N3/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,7H,4,6,8H2,1-3H3,(H4,12,13,14)/b10-7+
InChIKeyWDTUVHUDPPUQMN-JXMROGBWSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds5

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine

2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine (PubChem CID 45269644) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine
PubChem CID45269644
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine
SMILESCC(C)=CCC/C(C)=C/CN=C(N)N
InChIInChI=1S/C11H21N3/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,7H,4,6,8H2,1-3H3,(H4,12,13,14)/b10-7+
InChIKeyWDTUVHUDPPUQMN-JXMROGBWSA-N
XLogP1.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine (CID 45269644) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine is CC(C)=CCC/C(C)=C/CN=C(N)N.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine?
The InChIKey is WDTUVHUDPPUQMN-JXMROGBWSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)5-4-6-10(3)7-8-14-11(12)13/h5,7H,4,6,8H2,1-3H3,(H4,12,13,14)/b10-7+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]guanidine is sourced from PubChem (CID 45269644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).