(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine

C13H20F3N — CID 138517685

IUPAC(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine
SMILESC=C/C(=C\C=C/CCC(C)NCC)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-12(13(14,15)16)10-8-6-7-9-11(3)17-5-2/h4,6,8,10-11,17H,1,5,7,9H2,2-3H3/b8-6-,12-10+
InChIKeyYXGXHUSGRLYJEV-DEOFSOSHSA-N
MW247.30 g/mol
LogP4.00
Rot. Bonds7

About (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine

(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine (PubChem CID 138517685) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine.

Molecular Properties

Compound Name(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine
PubChem CID138517685
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine
SMILESC=C/C(=C\C=C/CCC(C)NCC)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-4-12(13(14,15)16)10-8-6-7-9-11(3)17-5-2/h4,6,8,10-11,17H,1,5,7,9H2,2-3H3/b8-6-,12-10+
InChIKeyYXGXHUSGRLYJEV-DEOFSOSHSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
6-Methyl-2-propylamino-5-heptene
CID 12541942
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
CID 121451127
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
7,7,7-trifluoro-N-methyl-6-(trifluoromethyl)hept-5-en-2-amine
CID 121451133

Frequently Asked Questions

What is the IUPAC name of (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine?
The IUPAC name of (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine (CID 138517685) is (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine.
What is the SMILES notation for (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine?
The canonical SMILES for (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine is C=C/C(=C\C=C/CCC(C)NCC)C(F)(F)F.
What is the InChIKey of (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine?
The InChIKey is YXGXHUSGRLYJEV-DEOFSOSHSA-N. The full InChI is InChI=1S/C13H20F3N/c1-4-12(13(14,15)16)10-8-6-7-9-11(3)17-5-2/h4,6,8,10-11,17H,1,5,7,9H2,2-3H3/b8-6-,12-10+.
What are the key properties of (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine?
(5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine has a molecular weight of 247.30 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-N-ethyl-8-(trifluoromethyl)deca-5,7,9-trien-2-amine is sourced from PubChem (CID 138517685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).