2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide

C13H26F2N2O2 — CID 107479066

IUPAC2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C13H26F2N2O2/c1-3-5-13(10-16,6-4-2)12(19)17(7-8-18)9-11(14)15/h11,18H,3-10,16H2,1-2H3
InChIKeyQNUBKVJXQQQQNI-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.62
Rot. Bonds10

About 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide

2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide (PubChem CID 107479066) has the molecular formula C13H26F2N2O2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
PubChem CID107479066
Molecular FormulaC13H26F2N2O2
Molecular Weight280.36 g/mol
Exact Mass280.20
IUPAC Name2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
SMILESCCCC(CN)(CCC)C(=O)N(CCO)CC(F)F
InChIInChI=1S/C13H26F2N2O2/c1-3-5-13(10-16,6-4-2)12(19)17(7-8-18)9-11(14)15/h11,18H,3-10,16H2,1-2H3
InChIKeyQNUBKVJXQQQQNI-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide (CID 107479066) is 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide is CCCC(CN)(CCC)C(=O)N(CCO)CC(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The InChIKey is QNUBKVJXQQQQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2O2/c1-3-5-13(10-16,6-4-2)12(19)17(7-8-18)9-11(14)15/h11,18H,3-10,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide has a molecular weight of 280.36 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propylpentanamide is sourced from PubChem (CID 107479066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).