2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine

C8H13N5 — CID 146593506

IUPAC2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1=CCCC=C1
InChIInChI=1S/C8H13N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H6,9,10,11,12,13)
InChIKeySXAJIKLEBHNIHM-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.19
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine

2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine (PubChem CID 146593506) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine
PubChem CID146593506
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/C1=CCCC=C1
InChIInChI=1S/C8H13N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H6,9,10,11,12,13)
InChIKeySXAJIKLEBHNIHM-UHFFFAOYSA-N
XLogP-0.19
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
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

2-(3-Chlorocyclohexa-1,5-dien-1-yl)-1-(diaminomethylidene)guanidine
CID 21951497
1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
6H-cyclohepta[e][1,2,4]triazin-3-amine
CID 91309672
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
2-Cyclohexa-1,5-dien-1-ylguanidine
CID 143973120
2-[(3Z)-hexa-1,3-dien-2-yl]guanidine
CID 146558163
1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium;hydrochloride
CID 159681807
1-cyano-2-[(1E,4Z,6Z,8Z)-cycloundeca-1,4,6,8,10-pentaen-1-yl]guanidine
CID 163895491
1-cyano-2-[(1E,3Z,6Z)-cyclonona-1,3,6,8-tetraen-1-yl]guanidine
CID 163953153

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine (CID 146593506) is 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/C1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine?
The InChIKey is SXAJIKLEBHNIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c9-7(10)13-8(11)12-6-4-2-1-3-5-6/h2,4-5H,1,3H2,(H6,9,10,11,12,13).
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine?
2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine has a molecular weight of 179.23 g/mol, XLogP of -0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 146593506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).