2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine

C13H26F3N3 — CID 55087868

IUPAC2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-12(2,3)17-5-4-6-18-7-9-19(10-8-18)11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyRMIOGOZXZJJHIA-UHFFFAOYSA-N
MW281.37 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine

2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine (PubChem CID 55087868) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine
PubChem CID55087868
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine
SMILESCC(C)(C)NCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H26F3N3/c1-12(2,3)17-5-4-6-18-7-9-19(10-8-18)11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyRMIOGOZXZJJHIA-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-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-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine (CID 55087868) is 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine is CC(C)(C)NCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine?
The InChIKey is RMIOGOZXZJJHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-12(2,3)17-5-4-6-18-7-9-19(10-8-18)11-13(14,15)16/h17H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine?
2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine has a molecular weight of 281.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine is sourced from PubChem (CID 55087868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).