N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine

C14H26F3N3 — CID 103070425

IUPACN-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-12(9-18-13(2,3)4)10-19-5-7-20(8-6-19)11-14(15,16)17/h18H,1,5-11H2,2-4H3
InChIKeyJPYACNNWHSFUQN-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.11
Rot. Bonds5

About N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine

N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070425) has the molecular formula C14H26F3N3 and a molecular weight of 293.38 g/mol. Its IUPAC name is N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070425
Molecular FormulaC14H26F3N3
Molecular Weight293.38 g/mol
Exact Mass293.21
IUPAC NameN-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3/c1-12(9-18-13(2,3)4)10-19-5-7-20(8-6-19)11-14(15,16)17/h18H,1,5-11H2,2-4H3
InChIKeyJPYACNNWHSFUQN-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-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

Related Compounds

1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine
CID 126709994
3-Methyl-1-[2-(trifluoromethyl)pent-1-en-3-yl]piperazine
CID 156129191
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
CID 163511269
2-methyl-N-[3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propyl]propan-2-amine
CID 55087868
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62556969
N-tert-butyl-2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62967241
N-tert-butyl-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62968621
N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261020
N-methyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069497
N-tert-butyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069500
N-ethyl-2-methylidene-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070114
2-methylidene-N-propan-2-yl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070142

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (CID 103070425) is N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is JPYACNNWHSFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3/c1-12(9-18-13(2,3)4)10-19-5-7-20(8-6-19)11-14(15,16)17/h18H,1,5-11H2,2-4H3.
What are the key properties of N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
N-tert-butyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 293.38 g/mol, XLogP of 2.11, 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-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).