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

C14H28F3N3 — CID 62557137

IUPAC3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-12(2)4-5-18-10-13(3)20-8-6-19(7-9-20)11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyVVGFXZLGDBSUQC-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.19
Rot. Bonds7

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

3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine (PubChem CID 62557137) has the molecular formula C14H28F3N3 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
PubChem CID62557137
Molecular FormulaC14H28F3N3
Molecular Weight295.39 g/mol
Exact Mass295.22
IUPAC Name3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H28F3N3/c1-12(2)4-5-18-10-13(3)20-8-6-19(7-9-20)11-14(15,16)17/h12-13,18H,4-11H2,1-3H3
InChIKeyVVGFXZLGDBSUQC-UHFFFAOYSA-N
XLogP2.19
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-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 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine (CID 62557137) is 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine is CC(C)CCNCC(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine?
The InChIKey is VVGFXZLGDBSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3N3/c1-12(2)4-5-18-10-13(3)20-8-6-19(7-9-20)11-14(15,16)17/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine?
3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]butan-1-amine is sourced from PubChem (CID 62557137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).