1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine

C9H15N5 — CID 157260455

IUPAC1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine
SMILESC/N=C(/N=C(N)N)N(C)C1=CCC=C1
InChIInChI=1S/C9H15N5/c1-12-9(13-8(10)11)14(2)7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13)
InChIKeyBYFCPEMYUHTVQZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.02
Rot. Bonds1

About 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine

1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine (PubChem CID 157260455) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine
PubChem CID157260455
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine
SMILESC/N=C(/N=C(N)N)N(C)C1=CCC=C1
InChIInChI=1S/C9H15N5/c1-12-9(13-8(10)11)14(2)7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13)
InChIKeyBYFCPEMYUHTVQZ-UHFFFAOYSA-N
XLogP0.02
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.02
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine (CID 157260455) is 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine is C/N=C(/N=C(N)N)N(C)C1=CCC=C1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine?
The InChIKey is BYFCPEMYUHTVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-12-9(13-8(10)11)14(2)7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13).
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine?
1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine has a molecular weight of 193.25 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1,2-dimethylguanidine is sourced from PubChem (CID 157260455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).