5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide

C12H22F3N3 — CID 65258279

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3N3/c1-11(2,10(16)17)6-3-7-18(9-4-5-9)8-12(13,14)15/h9H,3-8H2,1-2H3,(H3,16,17)
InChIKeyXNJHIRHSEWEDMP-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.76
Rot. Bonds7

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258279) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258279
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H22F3N3/c1-11(2,10(16)17)6-3-7-18(9-4-5-9)8-12(13,14)15/h9H,3-8H2,1-2H3,(H3,16,17)
InChIKeyXNJHIRHSEWEDMP-UHFFFAOYSA-N
XLogP2.76
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.76
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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Related Compounds

4-[Ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 65252134
4-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 65252290
2,2-Dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252341
2,2-Dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252394
2,2-Dimethyl-4-[methyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 65252795
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-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
2,2-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65259308
2-[1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492312
2-[1-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492324
2-[1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 65492527

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (CID 65258279) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is XNJHIRHSEWEDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-11(2,10(16)17)6-3-7-18(9-4-5-9)8-12(13,14)15/h9H,3-8H2,1-2H3,(H3,16,17).
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 265.32 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).