1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine

C8H13N5 — CID 157099839

IUPAC1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
SMILESCC1=CCC=C1/N=C(\N)N=C(N)N
InChIInChI=1S/C8H13N5/c1-5-3-2-4-6(5)12-8(11)13-7(9)10/h3-4H,2H2,1H3,(H6,9,10,11,12,13)
InChIKeyYDTVTHXQEHIONJ-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.19
Rot. Bonds1

About 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine

1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine (PubChem CID 157099839) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
PubChem CID157099839
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
SMILESCC1=CCC=C1/N=C(\N)N=C(N)N
InChIInChI=1S/C8H13N5/c1-5-3-2-4-6(5)12-8(11)13-7(9)10/h3-4H,2H2,1H3,(H6,9,10,11,12,13)
InChIKeyYDTVTHXQEHIONJ-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

1-(Diaminomethylidene)-2-(3-methylbenzene-4-id-1-yl)guanidine;yttrium
CID 59107797
2-[(3Z)-4-methylhexa-3,5-dien-3-yl]guanidine
CID 89938703
2-(4-Ethenylhexa-3,5-dien-3-yl)guanidine
CID 117884210
2-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]guanidine
CID 118926536
2-(3-Methylidenecyclohexa-1,5-dien-1-yl)guanidine
CID 123179193
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
CID 126717103
N'-[(3E,5Z)-5-ethenylocta-1,3,5,7-tetraen-4-yl]methanimidamide
CID 139406245
2-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]guanidine
CID 141790398
ethane;N'-[(3E,5Z)-5-ethenyl-7-methylocta-3,5,7-trien-4-yl]methanimidamide
CID 143256311
N'-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]methanimidamide;ethane;methane
CID 143256335
N'-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]methanimidamide;ethane
CID 143256475
N'-[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]methanimidamide;ethane;methanamine
CID 143256819

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine (CID 157099839) is 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine is CC1=CCC=C1/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine?
The InChIKey is YDTVTHXQEHIONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-5-3-2-4-6(5)12-8(11)13-7(9)10/h3-4H,2H2,1H3,(H6,9,10,11,12,13).
What are the key properties of 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine?
1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)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 1-(diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine is sourced from PubChem (CID 157099839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).