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'}

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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).