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

C11H22F3N3 — CID 65258134

IUPAC5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC)CC(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-4-17(8-11(12,13)14)7-5-6-10(2,3)9(15)16/h4-8H2,1-3H3,(H3,15,16)
InChIKeyKIBARMSFTKQPRJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.61
Rot. Bonds7

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

5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 65258134) has the molecular formula C11H22F3N3 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
PubChem CID65258134
Molecular FormulaC11H22F3N3
Molecular Weight253.31 g/mol
Exact Mass253.18
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN(CC)CC(F)(F)F
InChIInChI=1S/C11H22F3N3/c1-4-17(8-11(12,13)14)7-5-6-10(2,3)9(15)16/h4-8H2,1-3H3,(H3,15,16)
InChIKeyKIBARMSFTKQPRJ-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 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide (CID 65258134) is 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN(CC)CC(F)(F)F.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is KIBARMSFTKQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3/c1-4-17(8-11(12,13)14)7-5-6-10(2,3)9(15)16/h4-8H2,1-3H3,(H3,15,16).
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide?
5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide 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 5-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).