3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide

C12H22F3N3 — CID 114271861

IUPAC3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(C(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3N3/c1-4-8(7-10(16)17)18-6-5-9(11(18,2)3)12(13,14)15/h8-9H,4-7H2,1-3H3,(H3,16,17)
InChIKeyYGTKRRYYTDNRLT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.75
Rot. Bonds4

About 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide

3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide (PubChem CID 114271861) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide
PubChem CID114271861
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(C(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3N3/c1-4-8(7-10(16)17)18-6-5-9(11(18,2)3)12(13,14)15/h8-9H,4-7H2,1-3H3,(H3,16,17)
InChIKeyYGTKRRYYTDNRLT-UHFFFAOYSA-N
XLogP2.75
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
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 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide?
The IUPAC name of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide (CID 114271861) is 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide?
The canonical SMILES for 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(C(F)(F)F)C1(C)C.
What is the InChIKey of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide?
The InChIKey is YGTKRRYYTDNRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-4-8(7-10(16)17)18-6-5-9(11(18,2)3)12(13,14)15/h8-9H,4-7H2,1-3H3,(H3,16,17).
What are the key properties of 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide?
3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide has a molecular weight of 265.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethyl-3-(trifluoromethyl)pyrrolidin-1-yl]pentanimidamide is sourced from PubChem (CID 114271861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).