2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

C13H25F3N4 — CID 65258090

IUPAC2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N4/c1-12(2,11(17)18)4-3-5-19-6-8-20(9-7-19)10-13(14,15)16/h3-10H2,1-2H3,(H3,17,18)
InChIKeyFXJBYFKMIQZUCP-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.91
Rot. Bonds6

About 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide

2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (PubChem CID 65258090) has the molecular formula C13H25F3N4 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
PubChem CID65258090
Molecular FormulaC13H25F3N4
Molecular Weight294.36 g/mol
Exact Mass294.20
IUPAC Name2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N4/c1-12(2,11(17)18)4-3-5-19-6-8-20(9-7-19)10-13(14,15)16/h3-10H2,1-2H3,(H3,17,18)
InChIKeyFXJBYFKMIQZUCP-UHFFFAOYSA-N
XLogP1.91
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 65252346
5-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 65258134
2,2-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258327
2,2-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65259308
2-[1-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
CID 65494807
2-[3-(Trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65536458
2,2-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65536459
2,2-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537420
2,2-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65537817
2,2-Dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]pentanimidamide
CID 65538201
2-[3-(Trifluoromethyl)piperidin-1-yl]propanimidamide
CID 65538770
2,2-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65539154

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide (CID 65258090) is 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is FXJBYFKMIQZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N4/c1-12(2,11(17)18)4-3-5-19-6-8-20(9-7-19)10-13(14,15)16/h3-10H2,1-2H3,(H3,17,18).
What are the key properties of 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide?
2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 294.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 65258090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).