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

C11H22F3N3 — CID 65252341

IUPAC2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCC)CC(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-4-6-17(8-11(12,13)14)7-5-10(2,3)9(15)16/h4-8H2,1-3H3,(H3,15,16)
InChIKeyHGRYFWUQOCUCOB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.61
Rot. Bonds7

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

2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide (PubChem CID 65252341) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
PubChem CID65252341
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(CCC)CC(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-4-6-17(8-11(12,13)14)7-5-10(2,3)9(15)16/h4-8H2,1-3H3,(H3,15,16)
InChIKeyHGRYFWUQOCUCOB-UHFFFAOYSA-N
XLogP2.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide (CID 65252341) is 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide is [H]/N=C(\N)C(C)(C)CCN(CCC)CC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The InChIKey is HGRYFWUQOCUCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-4-6-17(8-11(12,13)14)7-5-10(2,3)9(15)16/h4-8H2,1-3H3,(H3,15,16).
What are the key properties of 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide?
2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide has a molecular weight of 253.31 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[propyl(2,2,2-trifluoroethyl)amino]butanimidamide is sourced from PubChem (CID 65252341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).