3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine

C5H10F3N5 — CID 83031642

IUPAC3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILES[H]/N=C(/N=C(N)N)N(C)CC(F)(F)F
InChIInChI=1S/C5H10F3N5/c1-13(2-5(6,7)8)4(11)12-3(9)10/h2H2,1H3,(H5,9,10,11,12)
InChIKeyZVBCZZCZOOPELA-UHFFFAOYSA-N
MW197.16 g/mol
LogP-0.31
Rot. Bonds1

About 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine

3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (PubChem CID 83031642) has the molecular formula C5H10F3N5 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
PubChem CID83031642
Molecular FormulaC5H10F3N5
Molecular Weight197.16 g/mol
Exact Mass197.09
IUPAC Name3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
SMILES[H]/N=C(/N=C(N)N)N(C)CC(F)(F)F
InChIInChI=1S/C5H10F3N5/c1-13(2-5(6,7)8)4(11)12-3(9)10/h2H2,1H3,(H5,9,10,11,12)
InChIKeyZVBCZZCZOOPELA-UHFFFAOYSA-N
XLogP-0.31
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 5-0.31
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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Related Compounds

1,3,5-Triazine, 2,4-diamino-5-ethyl-5,6-dihydro-6-imino-
CID 129933113
2-Methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 22977224
3-(Diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride
CID 88835805
1,3-Dimethyl-1,3-bis(2,2,2-trifluoroethyl)guanidine
CID 89645990
4-Imino-5-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazin-2-amine
CID 175042926
4-N-ethyl-4-N-methyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176522716
4-N,4-N-dimethyl-2-(trifluoromethyl)-1,2-dihydro-1,3,5-triazine-4,6-diamine
CID 176535395
3-Carbamimidoyl-2-ethyl-1-methyl-1-(1,1,2-trifluoroethyl)guanidine;hydrochloride
CID 176536260
3-Carbamimidoyl-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine;hydrochloride
CID 176536261
1-carbamimidoyl-1,2-bis[(2R)-1,1,1-trifluoropropan-2-yl]guanidine;hydrochloride
CID 177210307
3-(Diaminomethylidene)-2-ethyl-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 53639278
1-(Diaminomethylidene)-3-ethyl-2-(2,2,2-trifluoroethyl)guanidine
CID 54512158

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine (CID 83031642) is 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine is [H]/N=C(/N=C(N)N)N(C)CC(F)(F)F.
What is the InChIKey of 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
The InChIKey is ZVBCZZCZOOPELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N5/c1-13(2-5(6,7)8)4(11)12-3(9)10/h2H2,1H3,(H5,9,10,11,12).
What are the key properties of 3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine?
3-(diaminomethylidene)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine has a molecular weight of 197.16 g/mol, XLogP of -0.31, 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-(2,2,2-trifluoroethyl)guanidine is sourced from PubChem (CID 83031642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).