2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide

C12H23F3N2O2 — CID 107472184

IUPAC2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,3)6-9(7-16)10(18)17-4-5-19-8-12(13,14)15/h9H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyAUUJVCHBHWPROU-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.69
Rot. Bonds7

About 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide

2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide (PubChem CID 107472184) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
PubChem CID107472184
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-11(2,3)6-9(7-16)10(18)17-4-5-19-8-12(13,14)15/h9H,4-8,16H2,1-3H3,(H,17,18)
InChIKeyAUUJVCHBHWPROU-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide (CID 107472184) is 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide is CC(C)(C)CC(CN)C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide?
The InChIKey is AUUJVCHBHWPROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-11(2,3)6-9(7-16)10(18)17-4-5-19-8-12(13,14)15/h9H,4-8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide has a molecular weight of 284.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentanamide is sourced from PubChem (CID 107472184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).