(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine

C15H25N3 — CID 143157332

IUPAC(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine
SMILESC=CC(=C/C=C\C)/C(C=C)=C\C.CCN=C(N)N
InChIInChI=1S/C12H16.C3H9N3/c1-5-9-10-12(8-4)11(6-2)7-3;1-2-6-3(4)5/h5-10H,2,4H2,1,3H3;2H2,1H3,(H4,4,5,6)/b9-5-,11-7-,12-10-;
InChIKeyODDZTVHDQWFXSH-CJTXUHCASA-N
MW247.39 g/mol
LogP3.09
Rot. Bonds5

About (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine

(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine (PubChem CID 143157332) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine.

Molecular Properties

Compound Name(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine
PubChem CID143157332
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine
SMILESC=CC(=C/C=C\C)/C(C=C)=C\C.CCN=C(N)N
InChIInChI=1S/C12H16.C3H9N3/c1-5-9-10-12(8-4)11(6-2)7-3;1-2-6-3(4)5/h5-10H,2,4H2,1,3H3;2H2,1H3,(H4,4,5,6)/b9-5-,11-7-,12-10-;
InChIKeyODDZTVHDQWFXSH-CJTXUHCASA-N
XLogP3.09
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.09
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': 'polyene', 'substructure': 'N/A'}

Analyze (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine?
The IUPAC name of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine (CID 143157332) is (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine.
What is the SMILES notation for (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine?
The canonical SMILES for (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine is C=CC(=C/C=C\C)/C(C=C)=C\C.CCN=C(N)N.
What is the InChIKey of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine?
The InChIKey is ODDZTVHDQWFXSH-CJTXUHCASA-N. The full InChI is InChI=1S/C12H16.C3H9N3/c1-5-9-10-12(8-4)11(6-2)7-3;1-2-6-3(4)5/h5-10H,2,4H2,1,3H3;2H2,1H3,(H4,4,5,6)/b9-5-,11-7-,12-10-;.
What are the key properties of (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine?
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine has a molecular weight of 247.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;2-ethylguanidine is sourced from PubChem (CID 143157332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).