1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

C5H11F3N4 — CID 104882192

IUPAC1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NN)NCCC(F)(F)F
InChIInChI=1S/C5H11F3N4/c1-10-4(12-9)11-3-2-5(6,7)8/h2-3,9H2,1H3,(H2,10,11,12)
InChIKeyLFRMMJKWLKMBDN-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.02
Rot. Bonds2

About 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine

1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (PubChem CID 104882192) has the molecular formula C5H11F3N4 and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.

Molecular Properties

Compound Name1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
PubChem CID104882192
Molecular FormulaC5H11F3N4
Molecular Weight184.16 g/mol
Exact Mass184.09
IUPAC Name1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
SMILESC/N=C(\NN)NCCC(F)(F)F
InChIInChI=1S/C5H11F3N4/c1-10-4(12-9)11-3-2-5(6,7)8/h2-3,9H2,1H3,(H2,10,11,12)
InChIKeyLFRMMJKWLKMBDN-UHFFFAOYSA-N
XLogP-0.02
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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

2-methyl-1-(3-methylbutan-2-yl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111983658
2,2-dimethyl-N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]propanamide
CID 109471271
2-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471114
N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419
1-[3-(diethylamino)propyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471248
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propylpropanamide
CID 109472025
2-methyl-1-(4-methylcyclohexyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778538
1-(2-methoxy-3,3-dimethylbutyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111990445
2-methyl-1-(2-piperidin-1-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778955
1-(3,5-dimethylcyclohexyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111997032
1-amino-3-(3,3,3-trifluoropropyl)urea
CID 63227916
3-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109474550

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The IUPAC name of 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine (CID 104882192) is 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine.
What is the SMILES notation for 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The canonical SMILES for 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is C/N=C(\NN)NCCC(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
The InChIKey is LFRMMJKWLKMBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N4/c1-10-4(12-9)11-3-2-5(6,7)8/h2-3,9H2,1H3,(H2,10,11,12).
What are the key properties of 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine?
1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine has a molecular weight of 184.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-3-(3,3,3-trifluoropropyl)guanidine is sourced from PubChem (CID 104882192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).