1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

C9H15N5 — CID 157260454

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

About 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine

1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (PubChem CID 157260454) 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-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
PubChem CID157260454
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine
SMILESC/N=C(\N)N=C(N)N(C)C1=CCC=C1
InChIInChI=1S/C9H15N5/c1-12-8(10)13-9(11)14(2)7-5-3-4-6-7/h3,5-6H,4H2,1-2H3,(H4,10,11,12,13)
InChIKeyFSRNPJIFJUSTQU-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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Related Compounds

1-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
CID 59107798
2-[3-[Bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037905
2-Cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212599
1-methyl-1-[(3E,5Z)-octa-1,3,5-trien-3-yl]guanidine
CID 89328680
4-N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine
CID 89682679
1-Cyclohepta-1,3,6-trien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 145606983
1-methyl-5-[(Z)-prop-1-enyl]-7,8-dihydroimidazo[1,2-a][1,3]diazepine
CID 146531975
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
CID 169248178
1-Carbamimidoyl-2-cyclopenta-1,4-dien-1-yl-1-methylguanidine
CID 157078722
1-[Amino-(cyclopenta-1,4-dien-1-ylamino)methylidene]-2-methylguanidine
CID 157078723
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-2-methylguanidine
CID 157078724
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1-methylguanidine
CID 157078725

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine (CID 157260454) is 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is C/N=C(\N)N=C(N)N(C)C1=CCC=C1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is FSRNPJIFJUSTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-12-8(10)13-9(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-1-methyl-2-(N'-methylcarbamimidoyl)guanidine?
1-cyclopenta-1,4-dien-1-yl-1-methyl-2-(N'-methylcarbamimidoyl)guanidine 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-1-methyl-2-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 157260454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).