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

C8H13N3 — CID 134524774

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine
SMILESC=C/C=C\C(=C/C)N=C(N)N
InChIInChI=1S/C8H13N3/c1-3-5-6-7(4-2)11-8(9)10/h3-6H,1H2,2H3,(H4,9,10,11)/b6-5-,7-4+
InChIKeyPGZFNZCQOKECBD-IUQJDUBZSA-N
MW151.21 g/mol
LogP0.91
Rot. Bonds3

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

2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine (PubChem CID 134524774) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine
PubChem CID134524774
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine
SMILESC=C/C=C\C(=C/C)N=C(N)N
InChIInChI=1S/C8H13N3/c1-3-5-6-7(4-2)11-8(9)10/h3-6H,1H2,2H3,(H4,9,10,11)/b6-5-,7-4+
InChIKeyPGZFNZCQOKECBD-IUQJDUBZSA-N
XLogP0.91
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.91
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)-hepta-2,4,6-trien-3-yl]guanidine?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine (CID 134524774) is 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine is C=C/C=C\C(=C/C)N=C(N)N.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine?
The InChIKey is PGZFNZCQOKECBD-IUQJDUBZSA-N. The full InChI is InChI=1S/C8H13N3/c1-3-5-6-7(4-2)11-8(9)10/h3-6H,1H2,2H3,(H4,9,10,11)/b6-5-,7-4+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine?
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]guanidine has a molecular weight of 151.21 g/mol, XLogP of 0.91, 3 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]guanidine is sourced from PubChem (CID 134524774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).