1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine

C10H15N5 — CID 2829374

IUPAC1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine
SMILESCN(C)C(N)=N/C(N)=N/c1ccccc1
InChIInChI=1S/C10H15N5/c1-15(2)10(12)14-9(11)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,11,12,13,14)
InChIKeyWFEORMLTIAPZLH-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.51
Rot. Bonds1

About 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine

1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine (PubChem CID 2829374) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine
PubChem CID2829374
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine
SMILESCN(C)C(N)=N/C(N)=N/c1ccccc1
InChIInChI=1S/C10H15N5/c1-15(2)10(12)14-9(11)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,11,12,13,14)
InChIKeyWFEORMLTIAPZLH-UHFFFAOYSA-N
XLogP0.51
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.51
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

Phenylbiguanide
CID 4780
N-Phenylguanidine
CID 16157
N,N-Dimethyl-N'-phenylmethanimidamide
CID 15692
1-Phenylbiguanide monohydrochloride
CID 5932
4,6-Diamino-2,2-dimethyl-1,2-dihydro-1-phenyl-s-triazine
CID 19931
Guanidine, N-phenyl-, hydrochloride (1:1)
CID 12253676
N'-(4-fluorophenyl)-N,N-dimethylmethanimidamide
CID 27509
Guanidine, 1-methyl-1-phenyl-, hydrochloride
CID 9455
1-[4-(Dimethylamino)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 427456
2-[4-(Methylamino)phenyl]guanidine
CID 25209671
2-[4-[Ethyl(methyl)amino]phenyl]guanidine
CID 25209673
1-Phenyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 44325327

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine?
The IUPAC name of 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine (CID 2829374) is 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine.
What is the SMILES notation for 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine?
The canonical SMILES for 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine is CN(C)C(N)=N/C(N)=N/c1ccccc1.
What is the InChIKey of 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine?
The InChIKey is WFEORMLTIAPZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-15(2)10(12)14-9(11)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,11,12,13,14).
What are the key properties of 1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine?
1,1-dimethyl-2-(N'-phenylcarbamimidoyl)guanidine has a molecular weight of 205.27 g/mol, XLogP of 0.51, 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'-phenylcarbamimidoyl)guanidine is sourced from PubChem (CID 2829374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).