(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine

C20H33F3N2 — CID 166157664

IUPAC(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine
SMILESC=C/C=C(C(=C/C)\C(CCC)NC)/C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C20H33F3N2/c1-5-8-18(17(7-3)19(24-4)9-6-2)16-10-13-25(14-11-16)15-12-20(21,22)23/h5,7-8,16,19,24H,1,6,9-15H2,2-4H3/b17-7+,18-8-
InChIKeyIYKWYTRSSNCEQK-UEBQKXMZSA-N
MW358.49 g/mol
LogP5.10
Rot. Bonds9

About (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine

(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine (PubChem CID 166157664) has the molecular formula C20H33F3N2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine.

Molecular Properties

Compound Name(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine
PubChem CID166157664
Molecular FormulaC20H33F3N2
Molecular Weight358.49 g/mol
Exact Mass358.26
IUPAC Name(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine
SMILESC=C/C=C(C(=C/C)\C(CCC)NC)/C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C20H33F3N2/c1-5-8-18(17(7-3)19(24-4)9-6-2)16-10-13-25(14-11-16)15-12-20(21,22)23/h5,7-8,16,19,24H,1,6,9-15H2,2-4H3/b17-7+,18-8-
InChIKeyIYKWYTRSSNCEQK-UEBQKXMZSA-N
XLogP5.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,6R)-4,4-dimethyl-2-[(1E,3E)-nona-1,3-dienyl]-6-(trifluoromethyl)piperidine
CID 134865894
(2R)-1-[4-(4-chlorocyclohexa-2,4-dien-1-yl)piperidin-1-yl]-3-methyl-N-[2-[3-(trifluoromethyl)cyclohexen-1-yl]ethyl]butan-2-amine
CID 58457739
(2R)-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 68112155
1-[1-[(5R)-2,5-dimethyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]heptyl]piperazine
CID 68330524
(2R)-4-methyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70327342
(2R,3R)-3-ethyl-2-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperidine
CID 70903487
5-fluoro-3-[(1-methylpiperidin-4-yl)methyl]-3a,7a-dihydro-1H-indole
CID 70921115
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)-(4-fluorocyclohexa-2,4-dien-1-yl)methyl]piperazine
CID 71019352
2-N-[(4Z,6E)-6-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)-3-methyl-2-methylidenenona-4,6,8-trienyl]cyclohexane-1,2-diamine
CID 90126499
7-(3,6-Difluorocyclohexa-1,5-dien-1-yl)-2-hept-5-en-3-yl-4-methyl-1,2,3,10-tetrahydroazecine
CID 123154189
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
CID 123373633
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797

Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine?
The IUPAC name of (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine (CID 166157664) is (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine.
What is the SMILES notation for (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine?
The canonical SMILES for (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine is C=C/C=C(C(=C/C)\C(CCC)NC)/C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine?
The InChIKey is IYKWYTRSSNCEQK-UEBQKXMZSA-N. The full InChI is InChI=1S/C20H33F3N2/c1-5-8-18(17(7-3)19(24-4)9-6-2)16-10-13-25(14-11-16)15-12-20(21,22)23/h5,7-8,16,19,24H,1,6,9-15H2,2-4H3/b17-7+,18-8-.
What are the key properties of (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine?
(5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine has a molecular weight of 358.49 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-5-ethylidene-N-methyl-6-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]nona-6,8-dien-4-amine is sourced from PubChem (CID 166157664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).