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

C10H16N6 — CID 175773289

IUPAC1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
SMILESCc1cccc(C)c1/N=C(\N)NN=C(N)N
InChIInChI=1S/C10H16N6/c1-6-4-3-5-7(2)8(6)14-10(13)16-15-9(11)12/h3-5H,1-2H3,(H4,11,12,15)(H3,13,14,16)
InChIKeyAEFBEPQXBGSWCE-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.03
Rot. Bonds2

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

1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine (PubChem CID 175773289) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
PubChem CID175773289
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine
SMILESCc1cccc(C)c1/N=C(\N)NN=C(N)N
InChIInChI=1S/C10H16N6/c1-6-4-3-5-7(2)8(6)14-10(13)16-15-9(11)12/h3-5H,1-2H3,(H4,11,12,15)(H3,13,14,16)
InChIKeyAEFBEPQXBGSWCE-UHFFFAOYSA-N
XLogP0.03
TPSA114.81 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 ≤ 50.03
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

2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
2-(2,6-dimethylphenyl)-1-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 118673274
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-3-propan-2-ylurea
CID 135689317
1-(diaminomethylideneamino)-2-[(2-methylphenyl)methyl]guanidine;hydrochloride
CID 175917491
2-(4-bromophenyl)-1-(diaminomethylideneamino)guanidine
CID 69017718
N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
1,1-dibenzyl-3-[N'-(2,6-dimethylphenyl)carbamimidoyl]urea
CID 135689284
methyl N'-(2,6-dimethylphenyl)-N-[[N-(2,6-dimethylphenyl)-C-methylsulfanylcarbonimidoyl]amino]carbamimidothioate
CID 137436477
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-3-ethylurea;isocyanatoethane
CID 135689292
N'-(2,6-dimethylphenyl)-3-diphenylphosphanylbenzenecarboximidamide
CID 142766272
1-[N'-(2,6-dimethylphenyl)carbamimidoyl]-1,2,3-trimethylguanidine
CID 20543789
[(Z)-1-(2-methylphenyl)propylideneamino]urea
CID 121218183

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine?
The IUPAC name of 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine (CID 175773289) is 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine?
The canonical SMILES for 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine is Cc1cccc(C)c1/N=C(\N)NN=C(N)N.
What is the InChIKey of 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine?
The InChIKey is AEFBEPQXBGSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-6-4-3-5-7(2)8(6)14-10(13)16-15-9(11)12/h3-5H,1-2H3,(H4,11,12,15)(H3,13,14,16).
What are the key properties of 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine?
1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine has a molecular weight of 220.28 g/mol, XLogP of 0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-2-(2,6-dimethylphenyl)guanidine is sourced from PubChem (CID 175773289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).