2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine

C14H21N3 — CID 145203945

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
SMILESC=C/C=C\C(=C/C)\N=C(/N)N/C(=C/C=C)CC
InChIInChI=1S/C14H21N3/c1-5-9-11-13(8-4)17-14(15)16-12(7-3)10-6-2/h5-6,8-11H,1-2,7H2,3-4H3,(H3,15,16,17)/b11-9-,12-10+,13-8+
InChIKeyGDOPZXXIMXPLKU-BPHYRHAESA-N
MW231.34 g/mol
LogP3.02
Rot. Bonds6

About 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine (PubChem CID 145203945) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
PubChem CID145203945
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
SMILESC=C/C=C\C(=C/C)\N=C(/N)N/C(=C/C=C)CC
InChIInChI=1S/C14H21N3/c1-5-9-11-13(8-4)17-14(15)16-12(7-3)10-6-2/h5-6,8-11H,1-2,7H2,3-4H3,(H3,15,16,17)/b11-9-,12-10+,13-8+
InChIKeyGDOPZXXIMXPLKU-BPHYRHAESA-N
XLogP3.02
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.02
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 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(6-methylcyclohexa-1,3-dien-1-yl)-2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]guanidine
CID 89098625
1-[(E)-hex-3-en-3-yl]-2-methylguanidine
CID 132238786
2-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]guanidine
CID 134533572
N'-buta-1,3-dien-2-yl-N-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 135208586
2-buta-1,3-dien-2-yl-1-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 139305711
1,2-Bis(6-methylidenecyclohexa-1,3-dien-1-yl)guanidine
CID 139687703
2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]guanidine
CID 141790398
2-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trien-4-yl]guanidine
CID 142083489
1-Cyclohexa-1,5-dien-1-yl-2-methylguanidine
CID 143088471
2-methyl-1-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]guanidine
CID 144190799
ethane;2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine
CID 145203944
[Amino-(cyclohexa-1,5-dien-1-ylamino)methylidene]-methylazanium;ethane
CID 145594549

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine (CID 145203945) is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine is C=C/C=C\C(=C/C)\N=C(/N)N/C(=C/C=C)CC.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine?
The InChIKey is GDOPZXXIMXPLKU-BPHYRHAESA-N. The full InChI is InChI=1S/C14H21N3/c1-5-9-11-13(8-4)17-14(15)16-12(7-3)10-6-2/h5-6,8-11H,1-2,7H2,3-4H3,(H3,15,16,17)/b11-9-,12-10+,13-8+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine?
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine has a molecular weight of 231.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1-[(3E)-hexa-3,5-dien-3-yl]guanidine is sourced from PubChem (CID 145203945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).