2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine

C7H13N3 — CID 89171592

IUPAC2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine
SMILESC/C=C\C(=C/C)N=C(N)N
InChIInChI=1S/C7H13N3/c1-3-5-6(4-2)10-7(8)9/h3-5H,1-2H3,(H4,8,9,10)/b5-3-,6-4+
InChIKeyJGNOUMVCRBAXTM-CIIODKQPSA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds2

About 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine

2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine (PubChem CID 89171592) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine.

Molecular Properties

Compound Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine
PubChem CID89171592
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine
SMILESC/C=C\C(=C/C)N=C(N)N
InChIInChI=1S/C7H13N3/c1-3-5-6(4-2)10-7(8)9/h3-5H,1-2H3,(H4,8,9,10)/b5-3-,6-4+
InChIKeyJGNOUMVCRBAXTM-CIIODKQPSA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.74
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)-hexa-2,4-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

2-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 58082055
(2Z,4Z)-2-amino-N'-prop-1-en-2-ylhepta-2,4,6-trienimidamide
CID 88572089
N'-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 88943771
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
N'-[(2Z)-penta-2,4-dien-2-yl]methanimidamide
CID 117919184
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
N'-[(3Z)-penta-1,3-dien-2-yl]ethanimidamide
CID 124033430
N'-[(2Z)-4-aminopenta-2,4-dien-2-yl]ethanimidamide
CID 129196479
4-methyl-5-[(Z)-prop-1-enyl]imidazole
CID 130368436
N'-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]methanediimine
CID 130418980
N'-[(3E)-hexa-1,3,5-trien-3-yl]ethanimidamide
CID 134470712
2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
CID 134502115

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine?
The IUPAC name of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine (CID 89171592) is 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine.
What is the SMILES notation for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine?
The canonical SMILES for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine is C/C=C\C(=C/C)N=C(N)N.
What is the InChIKey of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine?
The InChIKey is JGNOUMVCRBAXTM-CIIODKQPSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-5-6(4-2)10-7(8)9/h3-5H,1-2H3,(H4,8,9,10)/b5-3-,6-4+.
What are the key properties of 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine?
2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine has a molecular weight of 139.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine is sourced from PubChem (CID 89171592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).