(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine

C17H30F3N3 — CID 134340729

IUPAC(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
SMILESCC/C=C\N/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H30F3N3/c1-5-7-8-21-16(14(3)6-2)15(4)23-11-9-22(10-12-23)13-17(18,19)20/h7-8,15,21H,5-6,9-13H2,1-4H3/b8-7-,16-14-
InChIKeyLQYSSIULHYNXKS-QTBQHVTMSA-N
MW333.44 g/mol
LogP3.75
Rot. Bonds7

About (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine

(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine (PubChem CID 134340729) has the molecular formula C17H30F3N3 and a molecular weight of 333.44 g/mol. Its IUPAC name is (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
PubChem CID134340729
Molecular FormulaC17H30F3N3
Molecular Weight333.44 g/mol
Exact Mass333.24
IUPAC Name(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
SMILESCC/C=C\N/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C17H30F3N3/c1-5-7-8-21-16(14(3)6-2)15(4)23-11-9-22(10-12-23)13-17(18,19)20/h7-8,15,21H,5-6,9-13H2,1-4H3/b8-7-,16-14-
InChIKeyLQYSSIULHYNXKS-QTBQHVTMSA-N
XLogP3.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The IUPAC name of (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine (CID 134340729) is (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine.
What is the SMILES notation for (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The canonical SMILES for (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine is CC/C=C\N/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The InChIKey is LQYSSIULHYNXKS-QTBQHVTMSA-N. The full InChI is InChI=1S/C17H30F3N3/c1-5-7-8-21-16(14(3)6-2)15(4)23-11-9-22(10-12-23)13-17(18,19)20/h7-8,15,21H,5-6,9-13H2,1-4H3/b8-7-,16-14-.
What are the key properties of (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine has a molecular weight of 333.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine is sourced from PubChem (CID 134340729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).