3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine

C9H15N5 — CID 157099842

IUPAC3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C1=CCC(C)=C1
InChIInChI=1S/C9H15N5/c1-6-3-4-7(5-6)14(2)9(12)13-8(10)11/h4-5H,3H2,1-2H3,(H5,10,11,12,13)
InChIKeyOPABLHWRTSZAIB-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.36
Rot. Bonds1

About 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine

3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine (PubChem CID 157099842) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
PubChem CID157099842
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(C)C1=CCC(C)=C1
InChIInChI=1S/C9H15N5/c1-6-3-4-7(5-6)14(2)9(12)13-8(10)11/h4-5H,3H2,1-2H3,(H5,10,11,12,13)
InChIKeyOPABLHWRTSZAIB-UHFFFAOYSA-N
XLogP0.36
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.36
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-(4-methylbenzene-5-id-1-yl)-2H-1,3,5-triazine-4,6-diamine;yttrium
CID 59107798
3-[Amino-[(4-methylcyclohepta-1,3,6-trien-1-yl)amino]methylidene]-1,1-dimethylguanidine
CID 176519651
5-Ethyl-1,4-dimethyl-6-methylidenepyrimidin-2-amine
CID 129938173
5-Ethyl-1,6-dimethyl-4-methylidenepyrimidin-2-amine
CID 129938174
1-Carbamimidoyl-2-cyclopenta-1,4-dien-1-yl-1-methylguanidine
CID 157078722
1-Cyclopenta-1,4-dien-1-yl-3-(diaminomethylidene)-1-methylguanidine
CID 157078725
3-(Diaminomethylidene)-1-methyl-1-(2-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099843
3-(Diaminomethylidene)-1-methyl-1-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099844
1,1-dimethyl-2-[N'-(5-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099845
1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099846
1,1-dimethyl-2-[N'-(2-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
CID 157099847
1-Carbamimidoyl-3-cyclopenta-1,4-dien-1-yl-1,3-dimethylguanidine
CID 157260453

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine (CID 157099842) is 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine is [H]/N=C(\N=C(N)N)N(C)C1=CCC(C)=C1.
What is the InChIKey of 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine?
The InChIKey is OPABLHWRTSZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-6-3-4-7(5-6)14(2)9(12)13-8(10)11/h4-5H,3H2,1-2H3,(H5,10,11,12,13).
What are the key properties of 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine?
3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine has a molecular weight of 193.25 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine is sourced from PubChem (CID 157099842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).