1-[(E)-1-iminohex-2-en-2-yl]guanidine

C7H14N4 — CID 176525862

IUPAC1-[(E)-1-iminohex-2-en-2-yl]guanidine
SMILES[H]/N=C/C(=C\CCC)N/C(N)=N/[H]
InChIInChI=1S/C7H14N4/c1-2-3-4-6(5-8)11-7(9)10/h4-5,8H,2-3H2,1H3,(H4,9,10,11)/b6-4+,8-5+
InChIKeyZJAXPPNNYQXPRZ-HLQBBKRNSA-N
MW154.22 g/mol
LogP0.80
Rot. Bonds4

About 1-[(E)-1-iminohex-2-en-2-yl]guanidine

1-[(E)-1-iminohex-2-en-2-yl]guanidine (PubChem CID 176525862) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-[(E)-1-iminohex-2-en-2-yl]guanidine.

Molecular Properties

Compound Name1-[(E)-1-iminohex-2-en-2-yl]guanidine
PubChem CID176525862
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-[(E)-1-iminohex-2-en-2-yl]guanidine
SMILES[H]/N=C/C(=C\CCC)N/C(N)=N/[H]
InChIInChI=1S/C7H14N4/c1-2-3-4-6(5-8)11-7(9)10/h4-5,8H,2-3H2,1H3,(H4,9,10,11)/b6-4+,8-5+
InChIKeyZJAXPPNNYQXPRZ-HLQBBKRNSA-N
XLogP0.80
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-iminohex-2-en-2-yl]guanidine?
The IUPAC name of 1-[(E)-1-iminohex-2-en-2-yl]guanidine (CID 176525862) is 1-[(E)-1-iminohex-2-en-2-yl]guanidine.
What is the SMILES notation for 1-[(E)-1-iminohex-2-en-2-yl]guanidine?
The canonical SMILES for 1-[(E)-1-iminohex-2-en-2-yl]guanidine is [H]/N=C/C(=C\CCC)N/C(N)=N/[H].
What is the InChIKey of 1-[(E)-1-iminohex-2-en-2-yl]guanidine?
The InChIKey is ZJAXPPNNYQXPRZ-HLQBBKRNSA-N. The full InChI is InChI=1S/C7H14N4/c1-2-3-4-6(5-8)11-7(9)10/h4-5,8H,2-3H2,1H3,(H4,9,10,11)/b6-4+,8-5+.
What are the key properties of 1-[(E)-1-iminohex-2-en-2-yl]guanidine?
1-[(E)-1-iminohex-2-en-2-yl]guanidine has a molecular weight of 154.22 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-iminohex-2-en-2-yl]guanidine is sourced from PubChem (CID 176525862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).