N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C15H30F3N3 — CID 62968621

IUPACN-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-13(2,3)19-10-14(4,5)11-20-6-8-21(9-7-20)12-15(16,17)18/h19H,6-12H2,1-5H3
InChIKeyVCBBLCZCLZDUPY-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.58
Rot. Bonds5

About N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62968621) has the molecular formula C15H30F3N3 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62968621
Molecular FormulaC15H30F3N3
Molecular Weight309.42 g/mol
Exact Mass309.24
IUPAC NameN-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-13(2,3)19-10-14(4,5)11-20-6-8-21(9-7-20)12-15(16,17)18/h19H,6-12H2,1-5H3
InChIKeyVCBBLCZCLZDUPY-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62968621) is N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(C)(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is VCBBLCZCLZDUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3/c1-13(2,3)19-10-14(4,5)11-20-6-8-21(9-7-20)12-15(16,17)18/h19H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62968621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).