2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide

C12H24F3N3 — CID 65258329

IUPAC2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3N3/c1-9(2)18(8-12(13,14)15)7-5-6-11(3,4)10(16)17/h9H,5-8H2,1-4H3,(H3,16,17)
InChIKeyQGPBPORUTGGNDC-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.00
Rot. Bonds7

About 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide

2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide (PubChem CID 65258329) has the molecular formula C12H24F3N3 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
PubChem CID65258329
Molecular FormulaC12H24F3N3
Molecular Weight267.34 g/mol
Exact Mass267.19
IUPAC Name2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C12H24F3N3/c1-9(2)18(8-12(13,14)15)7-5-6-11(3,4)10(16)17/h9H,5-8H2,1-4H3,(H3,16,17)
InChIKeyQGPBPORUTGGNDC-UHFFFAOYSA-N
XLogP3.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.00
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 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide (CID 65258329) is 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
The InChIKey is QGPBPORUTGGNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3/c1-9(2)18(8-12(13,14)15)7-5-6-11(3,4)10(16)17/h9H,5-8H2,1-4H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide?
2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide has a molecular weight of 267.34 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide is sourced from PubChem (CID 65258329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).