N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide

C14H27F3N4 — CID 111738001

IUPACN',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCN(C)CC(F)(F)F)N1CCC(C)(C)C1
InChIInChI=1S/C14H27F3N4/c1-13(2)6-9-21(10-13)12(18-3)19-7-5-8-20(4)11-14(15,16)17/h5-11H2,1-4H3,(H,18,19)
InChIKeyUCISHSNBWZBVIT-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.18
Rot. Bonds5

About N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide

N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide (PubChem CID 111738001) has the molecular formula C14H27F3N4 and a molecular weight of 308.39 g/mol. Its IUPAC name is N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
PubChem CID111738001
Molecular FormulaC14H27F3N4
Molecular Weight308.39 g/mol
Exact Mass308.22
IUPAC NameN',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCCCN(C)CC(F)(F)F)N1CCC(C)(C)C1
InChIInChI=1S/C14H27F3N4/c1-13(2)6-9-21(10-13)12(18-3)19-7-5-8-20(4)11-14(15,16)17/h5-11H2,1-4H3,(H,18,19)
InChIKeyUCISHSNBWZBVIT-UHFFFAOYSA-N
XLogP2.18
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide (CID 111738001) is N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide is C/N=C(\NCCCN(C)CC(F)(F)F)N1CCC(C)(C)C1.
What is the InChIKey of N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide?
The InChIKey is UCISHSNBWZBVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N4/c1-13(2)6-9-21(10-13)12(18-3)19-7-5-8-20(4)11-14(15,16)17/h5-11H2,1-4H3,(H,18,19).
What are the key properties of N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide?
N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide has a molecular weight of 308.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,3-trimethyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111738001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).