N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide

C11H21F3IN3 — CID 111996246

IUPACN',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)N1CCC(C)(C)C1.I
InChIInChI=1S/C11H20F3N3.HI/c1-10(2)5-7-17(8-10)9(15-3)16-6-4-11(12,13)14;/h4-8H2,1-3H3,(H,15,16);1H
InChIKeyZIVCZCXULBJKME-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.86
Rot. Bonds2

About N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide

N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111996246) has the molecular formula C11H21F3IN3 and a molecular weight of 379.21 g/mol. Its IUPAC name is N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111996246
Molecular FormulaC11H21F3IN3
Molecular Weight379.21 g/mol
Exact Mass379.07
IUPAC NameN',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCC(F)(F)F)N1CCC(C)(C)C1.I
InChIInChI=1S/C11H20F3N3.HI/c1-10(2)5-7-17(8-10)9(15-3)16-6-4-11(12,13)14;/h4-8H2,1-3H3,(H,15,16);1H
InChIKeyZIVCZCXULBJKME-UHFFFAOYSA-N
XLogP2.86
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.86
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111996246) is N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide is C/N=C(\NCCC(F)(F)F)N1CCC(C)(C)C1.I.
What is the InChIKey of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ZIVCZCXULBJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3.HI/c1-10(2)5-7-17(8-10)9(15-3)16-6-4-11(12,13)14;/h4-8H2,1-3H3,(H,15,16);1H.
What are the key properties of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 379.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111996246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).