N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide

C9H16F3N3 — CID 111466142

IUPACN'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CCCC1
InChIInChI=1S/C9H16F3N3/c1-13-8(15-6-2-3-7-15)14-5-4-9(10,11)12/h2-7H2,1H3,(H,13,14)
InChIKeyUZQMJECHVAAFRI-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.61
Rot. Bonds2

About N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide

N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide (PubChem CID 111466142) has the molecular formula C9H16F3N3 and a molecular weight of 223.24 g/mol. Its IUPAC name is N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
PubChem CID111466142
Molecular FormulaC9H16F3N3
Molecular Weight223.24 g/mol
Exact Mass223.13
IUPAC NameN'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CCCC1
InChIInChI=1S/C9H16F3N3/c1-13-8(15-6-2-3-7-15)14-5-4-9(10,11)12/h2-7H2,1H3,(H,13,14)
InChIKeyUZQMJECHVAAFRI-UHFFFAOYSA-N
XLogP1.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
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

N'-methyl-3-pyrrolidin-1-yl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111994544
ethyl 1-[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111983779
N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111546845
N'-methyl-3-phenyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111992856
2-methyl-1-(2-piperidin-1-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111778955
4-(2-methoxyphenyl)-N'-methyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111983705
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109473149
N'-methyl-4-(naphthalen-1-ylmethyl)-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111984919
N'-methyl-4-(naphthalen-1-ylmethyl)-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide;hydroiodide
CID 111984918
N'-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111984739
N'-methyl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119114676

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide (CID 111466142) is N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide is C/N=C(\NCCC(F)(F)F)N1CCCC1.
What is the InChIKey of N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
The InChIKey is UZQMJECHVAAFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3/c1-13-8(15-6-2-3-7-15)14-5-4-9(10,11)12/h2-7H2,1H3,(H,13,14).
What are the key properties of N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide has a molecular weight of 223.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111466142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).