1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine

C10H16N4 — CID 116510703

IUPAC1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1c(C)cccc1C
InChIInChI=1S/C10H16N4/c1-7-5-4-6-8(2)9(7)13-10(12-3)14-11/h4-6H,11H2,1-3H3,(H2,12,13,14)
InChIKeyJESNTZIPMDCPGY-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.16
Rot. Bonds1

About 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine

1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine (PubChem CID 116510703) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
PubChem CID116510703
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine
SMILESC/N=C(\NN)Nc1c(C)cccc1C
InChIInChI=1S/C10H16N4/c1-7-5-4-6-8(2)9(7)13-10(12-3)14-11/h4-6H,11H2,1-3H3,(H2,12,13,14)
InChIKeyJESNTZIPMDCPGY-UHFFFAOYSA-N
XLogP1.16
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(2-chloro-6-methylphenyl)-2-methylguanidine
CID 116510963
1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
CID 116510996
1-amino-3-(2,6-dimethylphenyl)-2-(3-ethoxypropyl)guanidine
CID 116512527
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
CID 53351559
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798
1-amino-2-cyclopropyl-3-(2-ethyl-6-methylphenyl)guanidine
CID 116511457
1-amino-3-(3-chloro-2-fluorophenyl)-2-methylguanidine
CID 116510720
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-amino-3-[3-(dimethylamino)-4-methylphenyl]-2-methylguanidine
CID 116510994
1-amino-3-(2-methoxyphenyl)-2-methylguanidine
CID 116510612
2-hydrazinyl-3-methylphenol
CID 130966480
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine?
The IUPAC name of 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine (CID 116510703) is 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine.
What is the SMILES notation for 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine?
The canonical SMILES for 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine is C/N=C(\NN)Nc1c(C)cccc1C.
What is the InChIKey of 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine?
The InChIKey is JESNTZIPMDCPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-7-5-4-6-8(2)9(7)13-10(12-3)14-11/h4-6H,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine?
1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine has a molecular weight of 192.27 g/mol, XLogP of 1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,6-dimethylphenyl)-2-methylguanidine is sourced from PubChem (CID 116510703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).