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

C18H32F3N3 — CID 162607465

IUPAC(Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
SMILESC/C=C\N(CC)/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C18H32F3N3/c1-6-9-23(8-3)17(15(4)7-2)16(5)24-12-10-22(11-13-24)14-18(19,20)21/h6,9,16H,7-8,10-14H2,1-5H3/b9-6-,17-15-
InChIKeyQNXGUYIQOATFOG-QZJPWMKKSA-N
MW347.47 g/mol
LogP4.09
Rot. Bonds7

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

(Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine (PubChem CID 162607465) has the molecular formula C18H32F3N3 and a molecular weight of 347.47 g/mol. Its IUPAC name is (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
PubChem CID162607465
Molecular FormulaC18H32F3N3
Molecular Weight347.47 g/mol
Exact Mass347.25
IUPAC Name(Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
SMILESC/C=C\N(CC)/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C18H32F3N3/c1-6-9-23(8-3)17(15(4)7-2)16(5)24-12-10-22(11-13-24)14-18(19,20)21/h6,9,16H,7-8,10-14H2,1-5H3/b9-6-,17-15-
InChIKeyQNXGUYIQOATFOG-QZJPWMKKSA-N
XLogP4.09
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The IUPAC name of (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine (CID 162607465) is (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine.
What is the SMILES notation for (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The canonical SMILES for (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine is C/C=C\N(CC)/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The InChIKey is QNXGUYIQOATFOG-QZJPWMKKSA-N. The full InChI is InChI=1S/C18H32F3N3/c1-6-9-23(8-3)17(15(4)7-2)16(5)24-12-10-22(11-13-24)14-18(19,20)21/h6,9,16H,7-8,10-14H2,1-5H3/b9-6-,17-15-.
What are the key properties of (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
(Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine has a molecular weight of 347.47 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-4-methyl-N-[(Z)-prop-1-enyl]-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine is sourced from PubChem (CID 162607465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).