2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C13H24F3NO — CID 83149012

IUPAC2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCNCC(C)(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C13H24F3NO/c1-3-17-9-12(2,11-5-6-11)7-4-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyRPOWSPVWBJWTIX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds9

About 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83149012) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83149012
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCNCC(C)(CCCOCC(F)(F)F)C1CC1
InChIInChI=1S/C13H24F3NO/c1-3-17-9-12(2,11-5-6-11)7-4-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyRPOWSPVWBJWTIX-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine 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-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83149012) is 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCNCC(C)(CCCOCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is RPOWSPVWBJWTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-17-9-12(2,11-5-6-11)7-4-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83149012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).