2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide

C13H25F3N2O2 — CID 107479070

IUPAC2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)(CCC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-3-5-12(9-17,6-4-2)11(20)18(7-8-19)10-13(14,15)16/h19H,3-10,17H2,1-2H3
InChIKeyVBERHRXACOZPII-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.91
Rot. Bonds9

About 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide

2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 107479070) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID107479070
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)(CCC)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-3-5-12(9-17,6-4-2)11(20)18(7-8-19)10-13(14,15)16/h19H,3-10,17H2,1-2H3
InChIKeyVBERHRXACOZPII-UHFFFAOYSA-N
XLogP1.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide (CID 107479070) is 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(CN)(CCC)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is VBERHRXACOZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-3-5-12(9-17,6-4-2)11(20)18(7-8-19)10-13(14,15)16/h19H,3-10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide?
2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 298.35 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxyethyl)-2-propyl-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 107479070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).