1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine

C10H17N5 — CID 157099846

IUPAC1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
SMILESCC1=CC(/N=C(\N)N=C(N)N(C)C)=CC1
InChIInChI=1S/C10H17N5/c1-7-4-5-8(6-7)13-9(11)14-10(12)15(2)3/h5-6H,4H2,1-3H3,(H4,11,12,13,14)
InChIKeyZQSHRTNDUZWWSE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.41
Rot. Bonds1

About 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine

1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine (PubChem CID 157099846) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
PubChem CID157099846
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC Name1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine
SMILESCC1=CC(/N=C(\N)N=C(N)N(C)C)=CC1
InChIInChI=1S/C10H17N5/c1-7-4-5-8(6-7)13-9(11)14-10(12)15(2)3/h5-6H,4H2,1-3H3,(H4,11,12,13,14)
InChIKeyZQSHRTNDUZWWSE-UHFFFAOYSA-N
XLogP0.41
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.41
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

2-[3-[Bis(dimethylamino)methylideneamino]cyclopenta-1,3-dien-1-yl]-1,1,3,3-tetramethylguanidine
CID 71037905
N,N-dimethyl-N'-[N'-(7-methylcyclohepta-1,3,6-trien-1-yl)carbamimidoyl]ethanimidamide
CID 142229617
1,2-dimethyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]iminoguanidine;ethene
CID 144469353
1,1-dimethyl-2-[(4Z)-7-methyl-3-methylideneocta-1,4-dien-2-yl]guanidine
CID 167017137
3-[Amino-[(4-methylcyclohepta-1,3,6-trien-1-yl)amino]methylidene]-1,1-dimethylguanidine
CID 176519651
1,2-dimethyl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]iminoguanidine
CID 144469354
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
1-(Diaminomethylidene)-2-(5-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099839
1-(Diaminomethylidene)-2-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099840
3-(Diaminomethylidene)-1-methyl-1-(4-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099842
3-(Diaminomethylidene)-1-methyl-1-(2-methylcyclopenta-1,4-dien-1-yl)guanidine
CID 157099843

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine?
The IUPAC name of 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine (CID 157099846) is 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine.
What is the SMILES notation for 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine?
The canonical SMILES for 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine is CC1=CC(/N=C(\N)N=C(N)N(C)C)=CC1.
What is the InChIKey of 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine?
The InChIKey is ZQSHRTNDUZWWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c1-7-4-5-8(6-7)13-9(11)14-10(12)15(2)3/h5-6H,4H2,1-3H3,(H4,11,12,13,14).
What are the key properties of 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine?
1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine has a molecular weight of 207.28 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[N'-(4-methylcyclopenta-1,4-dien-1-yl)carbamimidoyl]guanidine is sourced from PubChem (CID 157099846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).