2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide

C13H25F3N2O2 — CID 65227540

IUPAC2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)C(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-3-6-11(9-17)12(19)18(10-13(14,15)16)7-5-8-20-4-2/h11H,3-10,17H2,1-2H3
InChIKeyAILJRLUGIYGJOP-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.18
Rot. Bonds10

About 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide

2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 65227540) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID65227540
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(CN)C(=O)N(CCCOCC)CC(F)(F)F
InChIInChI=1S/C13H25F3N2O2/c1-3-6-11(9-17)12(19)18(10-13(14,15)16)7-5-8-20-4-2/h11H,3-10,17H2,1-2H3
InChIKeyAILJRLUGIYGJOP-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)hexanamide
CID 107144494
2-amino-N-(3-ethoxypropyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 62474145
2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227637
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569
2-(aminomethyl)-N-(3-ethoxypropyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 115432120
N-(3-ethoxypropyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79204341
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
N-(3-ethoxypropyl)-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687246
N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 60766142
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 65227540) is 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(CN)C(=O)N(CCCOCC)CC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is AILJRLUGIYGJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-3-6-11(9-17)12(19)18(10-13(14,15)16)7-5-8-20-4-2/h11H,3-10,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 298.35 g/mol, XLogP of 2.18, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 65227540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).