1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

C19H26F3NO — CID 171496590

IUPAC1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=CC1=C(C(=C)/C(=C/C=C(\C)C(F)(F)F)CC)CCOC1CNC
InChIInChI=1S/C19H26F3NO/c1-6-15(9-8-13(3)19(20,21)22)14(4)17-10-11-24-18(12-23-5)16(17)7-2/h7-9,18,23H,2,4,6,10-12H2,1,3,5H3/b13-8+,15-9+
InChIKeyFSQZXZCABJQYSH-TVXJZBATSA-N
MW341.42 g/mol
LogP4.88
Rot. Bonds7

About 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine

1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (PubChem CID 171496590) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
PubChem CID171496590
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
SMILESC=CC1=C(C(=C)/C(=C/C=C(\C)C(F)(F)F)CC)CCOC1CNC
InChIInChI=1S/C19H26F3NO/c1-6-15(9-8-13(3)19(20,21)22)14(4)17-10-11-24-18(12-23-5)16(17)7-2/h7-9,18,23H,2,4,6,10-12H2,1,3,5H3/b13-8+,15-9+
InChIKeyFSQZXZCABJQYSH-TVXJZBATSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine with MolForge

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Related Compounds

[(2R,6S)-6-[(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]oxan-2-yl]methanamine
CID 134408179
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran;N-methylmethanamine
CID 171496510
1-[5-ethenyl-4-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496629
ethane;1-[5-ethenyl-4-[(3E,5E)-7,7,7-trifluoro-3,6-dimethylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496797
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
1-[(3Z)-2-ethylidene-5-fluoro-1-methoxyhexa-3,5-dienyl]-N-propylcyclohexan-1-amine
CID 143236250
1-[5-ethenyl-4-[(3E,5E)-7,7,7-trifluoro-3,6-dimethylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 171496798
N-propyl-2-(1,2,5,6-tetrahydronaphthalen-2-yloxy)hexan-1-amine
CID 70997088
1-[(2R,7S)-7-[(2E,4Z)-hepta-2,4-dien-3-yl]oxepan-2-yl]-N-methylmethanamine
CID 134408117
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine;ethane
CID 142279476
(2E,4E)-6-[5-ethenyl-6-(methylaminomethyl)-3,6-dihydro-2H-pyran-4-yl]-5-ethyl-2-methylhepta-2,4,6-trienenitrile
CID 171496576

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine (CID 171496590) is 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is C=CC1=C(C(=C)/C(=C/C=C(\C)C(F)(F)F)CC)CCOC1CNC.
What is the InChIKey of 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
The InChIKey is FSQZXZCABJQYSH-TVXJZBATSA-N. The full InChI is InChI=1S/C19H26F3NO/c1-6-15(9-8-13(3)19(20,21)22)14(4)17-10-11-24-18(12-23-5)16(17)7-2/h7-9,18,23H,2,4,6,10-12H2,1,3,5H3/b13-8+,15-9+.
What are the key properties of 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine?
1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine has a molecular weight of 341.42 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethenyl-4-[(3E,5E)-3-ethyl-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine is sourced from PubChem (CID 171496590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).