1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine

C10H16N6 — CID 141113276

IUPAC1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)c1cccc(C)c1C
InChIInChI=1S/C10H16N6/c1-6-4-3-5-8(7(6)2)16(14)10(13)15-9(11)12/h3-5H,14H2,1-2H3,(H5,11,12,13,15)
InChIKeyMXIWTCYVZFGXGC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.19
Rot. Bonds1

About 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine

1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine (PubChem CID 141113276) has the molecular formula C10H16N6 and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine
PubChem CID141113276
Molecular FormulaC10H16N6
Molecular Weight220.28 g/mol
Exact Mass220.14
IUPAC Name1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(N)c1cccc(C)c1C
InChIInChI=1S/C10H16N6/c1-6-4-3-5-8(7(6)2)16(14)10(13)15-9(11)12/h3-5H,14H2,1-2H3,(H5,11,12,13,15)
InChIKeyMXIWTCYVZFGXGC-UHFFFAOYSA-N
XLogP0.19
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
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': '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

3-(diaminomethylidene)-1-(2,6-dimethylphenyl)-1-methylguanidine
CID 20543698
3-(diaminomethylidene)-1-methyl-1-(2-methyl-6-propylphenyl)guanidine
CID 22769674
1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine
CID 70442681
1,3-diamino-1-(2,3-dimethylphenyl)-3-methylurea;ethane
CID 144597779
3-(diaminomethylidene)-1-methyl-1-(2,4,6-trimethylphenyl)guanidine
CID 20543702
2,6-dimethylbenzenecarboximidamide
CID 5047790
3-(diaminomethylidene)-1-ethyl-1-(3-methylphenyl)guanidine
CID 115563267
N-(1-aminoethylidene)-2,3-dimethylbenzenecarboximidamide
CID 144603965
1-chloro-3-(diaminomethylidene)-1-phenylguanidine
CID 54064404
1-(diaminomethylideneamino)-1-(2,6-dimethylphenyl)guanidine
CID 71370563
3-(diaminomethylidene)-1-ethyl-1-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 83036577
1-[N-(1-hydroxyethyl)-2,3-dimethylanilino]ethanol
CID 67257224

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine?
The IUPAC name of 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine (CID 141113276) is 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine.
What is the SMILES notation for 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine?
The canonical SMILES for 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine is [H]/N=C(\N=C(N)N)N(N)c1cccc(C)c1C.
What is the InChIKey of 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine?
The InChIKey is MXIWTCYVZFGXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6/c1-6-4-3-5-8(7(6)2)16(14)10(13)15-9(11)12/h3-5H,14H2,1-2H3,(H5,11,12,13,15).
What are the key properties of 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine?
1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine has a molecular weight of 220.28 g/mol, XLogP of 0.19, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(diaminomethylidene)-1-(2,3-dimethylphenyl)guanidine is sourced from PubChem (CID 141113276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).