N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide

C11H19F3N2O2 — CID 63870145

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide
SMILESNC1CCC(OCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)10(17)16-6-1-7-18-9-4-2-8(15)3-5-9/h8-9H,1-7,15H2,(H,16,17)
InChIKeyAGBNKNZNTVYASU-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.34
Rot. Bonds5

About N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide (PubChem CID 63870145) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide
PubChem CID63870145
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide
SMILESNC1CCC(OCCCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)10(17)16-6-1-7-18-9-4-2-8(15)3-5-9/h8-9H,1-7,15H2,(H,16,17)
InChIKeyAGBNKNZNTVYASU-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide 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 N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide (CID 63870145) is N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide is NC1CCC(OCCCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide?
The InChIKey is AGBNKNZNTVYASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)10(17)16-6-1-7-18-9-4-2-8(15)3-5-9/h8-9H,1-7,15H2,(H,16,17).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide has a molecular weight of 268.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 63870145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).