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

C12H22F3N3 — CID 103070423

IUPACN-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-3-16-8-11(2)9-17-4-6-18(7-5-17)10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyFPQJVLMLDINAAI-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.33
Rot. Bonds6

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

N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070423) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070423
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNCC)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3/c1-3-16-8-11(2)9-17-4-6-18(7-5-17)10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyFPQJVLMLDINAAI-UHFFFAOYSA-N
XLogP1.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-aminoethyl)-N'-(1,1-difluoro-2-methylprop-2-enyl)ethane-1,2-diamine
CID 57486597
1-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
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
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62556969
N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261020
N-ethyl-N'-methyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069498
N-methyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069501
N-ethyl-N'-methyl-2-methylidene-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070113
N,N'-diethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070115
N-ethyl-2-methylidene-N'-propyl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070117

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (CID 103070423) is N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is C=C(CNCC)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is FPQJVLMLDINAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-3-16-8-11(2)9-17-4-6-18(7-5-17)10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 265.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).