2-[(3Z)-hexa-1,3-dien-2-yl]guanidine

C7H13N3 — CID 146558163

IUPAC2-[(3Z)-hexa-1,3-dien-2-yl]guanidine
SMILESC=C(/C=C\CC)N=C(N)N
InChIInChI=1S/C7H13N3/c1-3-4-5-6(2)10-7(8)9/h4-5H,2-3H2,1H3,(H4,8,9,10)/b5-4-
InChIKeyXSPYPDQILJNERV-PLNGDYQASA-N
MW139.20 g/mol
LogP0.74
Rot. Bonds3

About 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine

2-[(3Z)-hexa-1,3-dien-2-yl]guanidine (PubChem CID 146558163) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine.

Molecular Properties

Compound Name2-[(3Z)-hexa-1,3-dien-2-yl]guanidine
PubChem CID146558163
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-[(3Z)-hexa-1,3-dien-2-yl]guanidine
SMILESC=C(/C=C\CC)N=C(N)N
InChIInChI=1S/C7H13N3/c1-3-4-5-6(2)10-7(8)9/h4-5H,2-3H2,1H3,(H4,8,9,10)/b5-4-
InChIKeyXSPYPDQILJNERV-PLNGDYQASA-N
XLogP0.74
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
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'}

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Related Compounds

2-[(2E)-penta-2,4-dien-2-yl]guanidine
CID 58082055
1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
2-[(2E,4Z)-hexa-2,4-dien-3-yl]guanidine
CID 89171592
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
2-(4-Methylcyclohexa-1,5-dien-1-yl)guanidine
CID 123347365
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467
N'-[(3Z)-5-methylhexa-1,3-dien-2-yl]methanimidamide
CID 124029099
N'-[(3Z)-hexa-3,5-dien-3-yl]methanimidamide
CID 124132440
2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]guanidine
CID 134502115

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine?
The IUPAC name of 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine (CID 146558163) is 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine.
What is the SMILES notation for 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine?
The canonical SMILES for 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine is C=C(/C=C\CC)N=C(N)N.
What is the InChIKey of 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine?
The InChIKey is XSPYPDQILJNERV-PLNGDYQASA-N. The full InChI is InChI=1S/C7H13N3/c1-3-4-5-6(2)10-7(8)9/h4-5H,2-3H2,1H3,(H4,8,9,10)/b5-4-.
What are the key properties of 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine?
2-[(3Z)-hexa-1,3-dien-2-yl]guanidine has a molecular weight of 139.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-hexa-1,3-dien-2-yl]guanidine is sourced from PubChem (CID 146558163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).