2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

C15H30F3N3 — CID 116535281

IUPAC2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCC(C)N1CCN(C(C)(CN)CCCC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-4-13(2)20-8-10-21(11-9-20)14(3,12-19)6-5-7-15(16,17)18/h13H,4-12,19H2,1-3H3
InChIKeyGVWFMJPUOOICLT-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.85
Rot. Bonds7

About 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine

2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (PubChem CID 116535281) has the molecular formula C15H30F3N3 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
PubChem CID116535281
Molecular FormulaC15H30F3N3
Molecular Weight309.42 g/mol
Exact Mass309.24
IUPAC Name2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
SMILESCCC(C)N1CCN(C(C)(CN)CCCC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-4-13(2)20-8-10-21(11-9-20)14(3,12-19)6-5-7-15(16,17)18/h13H,4-12,19H2,1-3H3
InChIKeyGVWFMJPUOOICLT-UHFFFAOYSA-N
XLogP2.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine with MolForge

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Related Compounds

{1-[4-(Propan-2-yl)piperazin-1-yl]cyclopentyl}methanamine
CID 43585084
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
2,2-difluoro-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 53873123
N-tert-butyl-2-ethyl-4,4-difluoropiperidin-3-amine
CID 57752961
3-(Fluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886905
3-(Difluoromethyl)-1-propan-2-ylpiperidin-3-amine
CID 57886940
(3S,5R)-1-methyl-5-(trifluoromethyl)piperidin-3-amine
CID 58177225
(S)-2-isobutyl-1-(2,2,2-trifluoroethyl)piperazine
CID 58612005
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 59472438
2-(2-Methylpropyl)-1-(2,2,2-trifluoroethyl)piperazine
CID 64844275
(3R,5S)-1-tert-butyl-5-fluoropiperidin-3-amine
CID 67033551
(S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67772533

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The IUPAC name of 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine (CID 116535281) is 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine.
What is the SMILES notation for 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The canonical SMILES for 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is CCC(C)N1CCN(C(C)(CN)CCCC(F)(F)F)CC1.
What is the InChIKey of 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
The InChIKey is GVWFMJPUOOICLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3/c1-4-13(2)20-8-10-21(11-9-20)14(3,12-19)6-5-7-15(16,17)18/h13H,4-12,19H2,1-3H3.
What are the key properties of 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine?
2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylpiperazin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine is sourced from PubChem (CID 116535281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).