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

C11H20F3N3 — CID 111996247

IUPACN',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CCC(C)(C)C1
InChIInChI=1S/C11H20F3N3/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)
InChIKeyIXUWCPJQTWLNKC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.25
Rot. Bonds2

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

N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide (PubChem CID 111996247) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
PubChem CID111996247
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC NameN',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCC(F)(F)F)N1CCC(C)(C)C1
InChIInChI=1S/C11H20F3N3/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)
InChIKeyIXUWCPJQTWLNKC-UHFFFAOYSA-N
XLogP2.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.25
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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Frequently Asked Questions

What is the IUPAC name of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide (CID 111996247) is N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide is C/N=C(\NCCC(F)(F)F)N1CCC(C)(C)C1.
What is the InChIKey of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
The InChIKey is IXUWCPJQTWLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/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).
What are the key properties of N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide?
N',3,3-trimethyl-N-(3,3,3-trifluoropropyl)pyrrolidine-1-carboximidamide has a molecular weight of 251.30 g/mol, XLogP of 2.25, 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 is sourced from PubChem (CID 111996247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).