4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide

C11H20F3N3 — CID 65252290

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3N3/c1-10(2,9(15)16)5-6-17(8-3-4-8)7-11(12,13)14/h8H,3-7H2,1-2H3,(H3,15,16)
InChIKeyUYRLGHWTVUWVCI-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.37
Rot. Bonds6

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide (PubChem CID 65252290) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
PubChem CID65252290
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H20F3N3/c1-10(2,9(15)16)5-6-17(8-3-4-8)7-11(12,13)14/h8H,3-7H2,1-2H3,(H3,15,16)
InChIKeyUYRLGHWTVUWVCI-UHFFFAOYSA-N
XLogP2.37
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.37
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 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide (CID 65252290) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
The InChIKey is UYRLGHWTVUWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-10(2,9(15)16)5-6-17(8-3-4-8)7-11(12,13)14/h8H,3-7H2,1-2H3,(H3,15,16).
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide has a molecular weight of 251.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).