2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide

C11H22F3N3 — CID 65252394

IUPAC2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3N3/c1-8(2)17(7-11(12,13)14)6-5-10(3,4)9(15)16/h8H,5-7H2,1-4H3,(H3,15,16)
InChIKeyIVTBEANGTLHHFV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.61
Rot. Bonds6

About 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide

2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide (PubChem CID 65252394) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
PubChem CID65252394
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3N3/c1-8(2)17(7-11(12,13)14)6-5-10(3,4)9(15)16/h8H,5-7H2,1-4H3,(H3,15,16)
InChIKeyIVTBEANGTLHHFV-UHFFFAOYSA-N
XLogP2.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.61
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-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide (CID 65252394) is 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide is [H]/N=C(\N)C(C)(C)CCN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide?
The InChIKey is IVTBEANGTLHHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-8(2)17(7-11(12,13)14)6-5-10(3,4)9(15)16/h8H,5-7H2,1-4H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide?
2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide has a molecular weight of 253.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide is sourced from PubChem (CID 65252394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).