3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine

C12H19N5 — CID 20543702

IUPAC3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H19N5/c1-7-5-8(2)10(9(3)6-7)17(4)12(15)16-11(13)14/h5-6H,1-4H3,(H5,13,14,15,16)
InChIKeyAMPQKMWUEWXSPP-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.26
Rot. Bonds1

About 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine

3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine (PubChem CID 20543702) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine
PubChem CID20543702
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(C)c1c(C)cc(C)cc1C
InChIInChI=1S/C12H19N5/c1-7-5-8(2)10(9(3)6-7)17(4)12(15)16-11(13)14/h5-6H,1-4H3,(H5,13,14,15,16)
InChIKeyAMPQKMWUEWXSPP-UHFFFAOYSA-N
XLogP1.26
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.26
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-methyl-1-(2,4,6-trimethylphenyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine (CID 20543702) is 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine is [H]/N=C(\N=C(N)N)N(C)c1c(C)cc(C)cc1C.
What is the InChIKey of 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine?
The InChIKey is AMPQKMWUEWXSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-7-5-8(2)10(9(3)6-7)17(4)12(15)16-11(13)14/h5-6H,1-4H3,(H5,13,14,15,16).
What are the key properties of 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine?
3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine has a molecular weight of 233.32 g/mol, XLogP of 1.26, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine is sourced from PubChem (CID 20543702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).