2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine

C9H15N5 — CID 158074592

IUPAC2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCN(C)C(N)=N/C(N)=N/C1=CCC=C1
InChIInChI=1S/C9H15N5/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13)
InChIKeyGPNGMJVKFMJUIF-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.02
Rot. Bonds1

About 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine

2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine (PubChem CID 158074592) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine
PubChem CID158074592
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine
SMILESCN(C)C(N)=N/C(N)=N/C1=CCC=C1
InChIInChI=1S/C9H15N5/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13)
InChIKeyGPNGMJVKFMJUIF-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 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine?
The IUPAC name of 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine (CID 158074592) is 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine.
What is the SMILES notation for 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine?
The canonical SMILES for 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine is CN(C)C(N)=N/C(N)=N/C1=CCC=C1.
What is the InChIKey of 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine?
The InChIKey is GPNGMJVKFMJUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-14(2)9(11)13-8(10)12-7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13).
What are the key properties of 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine?
2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-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 2-(N'-cyclopenta-1,4-dien-1-ylcarbamimidoyl)-1,1-dimethylguanidine is sourced from PubChem (CID 158074592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).