N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine

C13H24F3NO — CID 55083107

IUPACN-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCC(C)C(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H24F3NO/c1-10(2)11(8-17-12-5-6-12)4-3-7-18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyOZLSGBDSMIWTFD-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.37
Rot. Bonds9

About N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine

N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (PubChem CID 55083107) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
PubChem CID55083107
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine
SMILESCC(C)C(CCCOCC(F)(F)F)CNC1CC1
InChIInChI=1S/C13H24F3NO/c1-10(2)11(8-17-12-5-6-12)4-3-7-18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyOZLSGBDSMIWTFD-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 N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine 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-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine (CID 55083107) is N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is CC(C)C(CCCOCC(F)(F)F)CNC1CC1.
What is the InChIKey of N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
The InChIKey is OZLSGBDSMIWTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)11(8-17-12-5-6-12)4-3-7-18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine?
N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine 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 N-[2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 55083107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).