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

C15H30F3N3 — CID 62968299

IUPAC2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-5-14(4,10-19-13(2)3)11-20-6-8-21(9-7-20)12-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyNVKYZDFTAZDQIT-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.58
Rot. Bonds7

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

2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine (PubChem CID 62968299) has the molecular formula C15H30F3N3 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
PubChem CID62968299
Molecular FormulaC15H30F3N3
Molecular Weight309.42 g/mol
Exact Mass309.24
IUPAC Name2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine
SMILESCCC(C)(CNC(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H30F3N3/c1-5-14(4,10-19-13(2)3)11-20-6-8-21(9-7-20)12-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyNVKYZDFTAZDQIT-UHFFFAOYSA-N
XLogP2.58
TPSA18.51 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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine with MolForge

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Related Compounds

2-[(4-tert-butylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258815
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
2-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 55216025
2-[(2-ethylmorpholin-4-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62258034
2-[(4-tert-butylpiperidin-1-yl)methyl]-2-methyl-N-propan-2-ylpentan-1-amine
CID 63493459
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-N-propylbutan-1-amine
CID 62776591
2-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 55051923
3-(ethylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one
CID 62838357
ethane;1-(2-methylpropyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 168904282
2-[(4-ethylpiperazin-1-yl)methyl]-2-methyl-N-propylbutan-1-amine
CID 62263159
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine (CID 62968299) is 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine is CCC(C)(CNC(C)C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine?
The InChIKey is NVKYZDFTAZDQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3N3/c1-5-14(4,10-19-13(2)3)11-20-6-8-21(9-7-20)12-15(16,17)18/h13,19H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine?
2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]butan-1-amine is sourced from PubChem (CID 62968299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).