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

C10H19F3N2O2 — CID 65227463

IUPAC2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-8(6-14)9(17)15(4-5-16)7-10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyATQCYNDYCFFYHT-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.74
Rot. Bonds7

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

2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 65227463) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID65227463
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)C(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-2-3-8(6-14)9(17)15(4-5-16)7-10(11,12)13/h8,16H,2-7,14H2,1H3
InChIKeyATQCYNDYCFFYHT-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.74
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)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 65227463) is 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(CN)C(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is ATQCYNDYCFFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-2-3-8(6-14)9(17)15(4-5-16)7-10(11,12)13/h8,16H,2-7,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
2-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 256.27 g/mol, XLogP of 0.74, 7 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)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 65227463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).