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

C11H20F3N3 — CID 103070421

IUPACN-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-10(7-15-2)8-16-3-5-17(6-4-16)9-11(12,13)14/h15H,1,3-9H2,2H3
InChIKeyPSUIESNHALXEJH-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.94
Rot. Bonds5

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

N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070421) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070421
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC NameN-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CNC)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-10(7-15-2)8-16-3-5-17(6-4-16)9-11(12,13)14/h15H,1,3-9H2,2H3
InChIKeyPSUIESNHALXEJH-UHFFFAOYSA-N
XLogP0.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.94
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
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
CID 163511269
N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261020
N,N'-dimethyl-2-methylidene-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103069496
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
N-methyl-2-methylidene-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 103070141

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (CID 103070421) is N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is C=C(CNC)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is PSUIESNHALXEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-10(7-15-2)8-16-3-5-17(6-4-16)9-11(12,13)14/h15H,1,3-9H2,2H3.
What are the key properties of N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 251.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).