2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C11H22F3N3 — CID 103370675

IUPAC2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(C)C(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-7(10(2,3)4)17(5)6-8(9(15)16)11(12,13)14/h7-8H,6H2,1-5H3,(H3,15,16)
InChIKeyUCUBVLKVJVDKTK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.47
Rot. Bonds4

About 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370675) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370675
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(C)C(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-7(10(2,3)4)17(5)6-8(9(15)16)11(12,13)14/h7-8H,6H2,1-5H3,(H3,15,16)
InChIKeyUCUBVLKVJVDKTK-UHFFFAOYSA-N
XLogP2.47
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.47
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-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370675) is 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(C)C(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is UCUBVLKVJVDKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-7(10(2,3)4)17(5)6-8(9(15)16)11(12,13)14/h7-8H,6H2,1-5H3,(H3,15,16).
What are the key properties of 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 253.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).