1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine

C10H16N6 — CID 71370563

IUPAC1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine
SMILES[H]/N=C(\N)N(N=C(N)N)c1c(C)cccc1C
InChIInChI=1S/C10H16N6/c1-6-4-3-5-7(2)8(6)16(10(13)14)15-9(11)12/h3-5H,1-2H3,(H3,13,14)(H4,11,12,15)
InChIKeyKOLDJBDBFJOABG-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.19
Rot. Bonds2

About 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine

1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine (PubChem CID 71370563) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine
PubChem CID71370563
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine
SMILES[H]/N=C(\N)N(N=C(N)N)c1c(C)cccc1C
InChIInChI=1S/C10H16N6/c1-6-4-3-5-7(2)8(6)16(10(13)14)15-9(11)12/h3-5H,1-2H3,(H3,13,14)(H4,11,12,15)
InChIKeyKOLDJBDBFJOABG-UHFFFAOYSA-N
XLogP0.19
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

N,N''-Bis-(2,6-dimethyl-phenyl)-guanidine
CID 13781932
1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-amine
CID 283417
N~4~-(2,6-dimethylphenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 3239171
N-tert-Butyl-N''-cyano-N'-(2,6-dimethylphenyl)guanidine
CID 3050783
Guanidine, 2-cyano-1-tert-pentyl-3-(2,6-xylyl)-
CID 3050784
N*2*-(2,6-Dimethyl-phenyl)-6,6-dimethyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
CID 654631
1,3,5-Triazine-2,4-diamine, 1-(2,6-dimethylphenyl)-1,6-dihydro-6,6-dimethyl-
CID 407423
1,3,5-Triazaspiro(5.5)undeca-2,4-diene, 2,4-diamino-1-(2,6-dimethylphenyl)-, hydrochloride
CID 3057055
1-(2,4-Dimethylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3244248
N-(2,6-Dimethylphenyl)-6,8,10-triazaspiro[4.5] deca-6,8-diene-7,9-diamine
CID 752564
Mono-o-tolyl-biguanide
CID 129726614
1-(4-Fluoro-2,6-dimethylphenyl)-1-methylguanidine
CID 20543539

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine (CID 71370563) is 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine is [H]/N=C(\N)N(N=C(N)N)c1c(C)cccc1C.
What is the InChIKey of 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine?
The InChIKey is KOLDJBDBFJOABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-6-4-3-5-7(2)8(6)16(10(13)14)15-9(11)12/h3-5H,1-2H3,(H3,13,14)(H4,11,12,15).
What are the key properties of 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine?
1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine has a molecular weight of 220.28 g/mol, XLogP of 0.19, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine is sourced from PubChem (CID 71370563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).