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

C11H17N5 — CID 20543698

IUPAC3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N=C(N)N)N(C)c1c(C)cccc1C
InChIInChI=1S/C11H17N5/c1-7-5-4-6-8(2)9(7)16(3)11(14)15-10(12)13/h4-6H,1-3H3,(H5,12,13,14,15)
InChIKeyCHNAKVXRKIAPEV-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.95
Rot. Bonds1

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

3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine (PubChem CID 20543698) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
PubChem CID20543698
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
SMILES[H]/N=C(\N=C(N)N)N(C)c1c(C)cccc1C
InChIInChI=1S/C11H17N5/c1-7-5-4-6-8(2)9(7)16(3)11(14)15-10(12)13/h4-6H,1-3H3,(H5,12,13,14,15)
InChIKeyCHNAKVXRKIAPEV-UHFFFAOYSA-N
XLogP0.95
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine (CID 20543698) is 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine is [H]/N=C(\N=C(N)N)N(C)c1c(C)cccc1C.
What is the InChIKey of 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine?
The InChIKey is CHNAKVXRKIAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-5-4-6-8(2)9(7)16(3)11(14)15-10(12)13/h4-6H,1-3H3,(H5,12,13,14,15).
What are the key properties of 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine?
3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine has a molecular weight of 219.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine is sourced from PubChem (CID 20543698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).