2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine

C14H23N3 — CID 139395272

IUPAC2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine
SMILESC=C/C(=C\C=C/C)C(C/C=C\CC)N=C(N)N
InChIInChI=1S/C14H23N3/c1-4-7-9-11-13(17-14(15)16)12(6-3)10-8-5-2/h5-10,13H,3-4,11H2,1-2H3,(H4,15,16,17)/b8-5-,9-7-,12-10+
InChIKeyDXPADVZIJWMNMP-OOBUSIFRSA-N
MW233.36 g/mol
LogP2.67
Rot. Bonds7

About 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine

2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine (PubChem CID 139395272) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine.

Molecular Properties

Compound Name2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine
PubChem CID139395272
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine
SMILESC=C/C(=C\C=C/C)C(C/C=C\CC)N=C(N)N
InChIInChI=1S/C14H23N3/c1-4-7-9-11-13(17-14(15)16)12(6-3)10-8-5-2/h5-10,13H,3-4,11H2,1-2H3,(H4,15,16,17)/b8-5-,9-7-,12-10+
InChIKeyDXPADVZIJWMNMP-OOBUSIFRSA-N
XLogP2.67
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.67
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine?
The IUPAC name of 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine (CID 139395272) is 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine.
What is the SMILES notation for 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine?
The canonical SMILES for 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine is C=C/C(=C\C=C/C)C(C/C=C\CC)N=C(N)N.
What is the InChIKey of 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine?
The InChIKey is DXPADVZIJWMNMP-OOBUSIFRSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-7-9-11-13(17-14(15)16)12(6-3)10-8-5-2/h5-10,13H,3-4,11H2,1-2H3,(H4,15,16,17)/b8-5-,9-7-,12-10+.
What are the key properties of 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine?
2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine has a molecular weight of 233.36 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E,8Z)-5-ethenylundeca-2,4,8-trien-6-yl]guanidine is sourced from PubChem (CID 139395272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).