2-cyclohexa-1,5-dien-1-ylguanidine

C7H11N3 — CID 143973120

IUPAC2-cyclohexa-1,5-dien-1-ylguanidine
SMILESNC(N)=NC1=CCCC=C1
InChIInChI=1S/C7H11N3/c8-7(9)10-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H4,8,9,10)
InChIKeyFMHJHVYHYAHRNS-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.49
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylguanidine

2-cyclohexa-1,5-dien-1-ylguanidine (PubChem CID 143973120) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylguanidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylguanidine
PubChem CID143973120
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-cyclohexa-1,5-dien-1-ylguanidine
SMILESNC(N)=NC1=CCCC=C1
InChIInChI=1S/C7H11N3/c8-7(9)10-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H4,8,9,10)
InChIKeyFMHJHVYHYAHRNS-UHFFFAOYSA-N
XLogP0.49
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.49
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'}

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Related Compounds

4-Amino-paraphenylenediamine
CID 67421268
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
2-(4-Methylcyclohexa-1,5-dien-1-yl)guanidine
CID 123347365
2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]guanidine
CID 141790398
2-[(3E)-hexa-1,3-dien-3-yl]-1-methylideneguanidine
CID 143861779
N'-[(3Z)-hexa-1,3-dien-2-yl]methanimidamide
CID 146557687
2-[(3Z)-hexa-1,3-dien-2-yl]guanidine
CID 146558163
2-Cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine
CID 146593506
Cyclohexa-2,4-diene-1,1,3-triamine
CID 153897296
2-(2-Iodocyclohexa-1,3-dien-1-yl)guanidine
CID 163847997
N'-[(Z)-1-cyclohexa-1,5-dien-1-ylprop-1-enyl]carbamimidoyl chloride
CID 167223338
2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]guanidine
CID 169122359

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylguanidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylguanidine (CID 143973120) is 2-cyclohexa-1,5-dien-1-ylguanidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylguanidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylguanidine is NC(N)=NC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylguanidine?
The InChIKey is FMHJHVYHYAHRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c8-7(9)10-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H4,8,9,10).
What are the key properties of 2-cyclohexa-1,5-dien-1-ylguanidine?
2-cyclohexa-1,5-dien-1-ylguanidine has a molecular weight of 137.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylguanidine is sourced from PubChem (CID 143973120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).