N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide

C15H27F3N4 — CID 109453692

IUPACN',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide
SMILESC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H27F3N4/c1-13(2)9-22(14(13,3)4)12(19-5)20-11-6-7-21(8-11)10-15(16,17)18/h11H,6-10H2,1-5H3,(H,19,20)
InChIKeyDOAQRQKVFJEHKT-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.32
Rot. Bonds2

About N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide

N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide (PubChem CID 109453692) has the molecular formula C15H27F3N4 and a molecular weight of 320.40 g/mol. Its IUPAC name is N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide.

Molecular Properties

Compound NameN',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide
PubChem CID109453692
Molecular FormulaC15H27F3N4
Molecular Weight320.40 g/mol
Exact Mass320.22
IUPAC NameN',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide
SMILESC/N=C(/NC1CCN(CC(F)(F)F)C1)N1CC(C)(C)C1(C)C
InChIInChI=1S/C15H27F3N4/c1-13(2)9-22(14(13,3)4)12(19-5)20-11-6-7-21(8-11)10-15(16,17)18/h11H,6-10H2,1-5H3,(H,19,20)
InChIKeyDOAQRQKVFJEHKT-UHFFFAOYSA-N
XLogP2.32
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide?
The IUPAC name of N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide (CID 109453692) is N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide.
What is the SMILES notation for N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide?
The canonical SMILES for N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide is C/N=C(/NC1CCN(CC(F)(F)F)C1)N1CC(C)(C)C1(C)C.
What is the InChIKey of N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide?
The InChIKey is DOAQRQKVFJEHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N4/c1-13(2)9-22(14(13,3)4)12(19-5)20-11-6-7-21(8-11)10-15(16,17)18/h11H,6-10H2,1-5H3,(H,19,20).
What are the key properties of N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide?
N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide has a molecular weight of 320.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2,3,3-pentamethyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidine-1-carboximidamide is sourced from PubChem (CID 109453692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).