(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine

C14H22F3N — CID 143866557

IUPAC(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine
SMILESC=CC(=CC(C)/C(=C\C)CCNCC)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-5-12(8-9-18-7-3)11(4)10-13(6-2)14(15,16)17/h5-6,10-11,18H,2,7-9H2,1,3-4H3/b12-5-,13-10?
InChIKeyUGWDDSYWTNEKGH-FIXFVXKCSA-N
MW261.33 g/mol
LogP4.24
Rot. Bonds7

About (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine

(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine (PubChem CID 143866557) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine
PubChem CID143866557
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine
SMILESC=CC(=CC(C)/C(=C\C)CCNCC)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-5-12(8-9-18-7-3)11(4)10-13(6-2)14(15,16)17/h5-6,10-11,18H,2,7-9H2,1,3-4H3/b12-5-,13-10?
InChIKeyUGWDDSYWTNEKGH-FIXFVXKCSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
6-(Trifluoromethyl)-11-azabicyclo[7.3.1]trideca-2,4,6-triene
CID 69530943
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
3-[3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyrrolidine
CID 70944553
(E)-N-tert-butyl-7,7-difluoro-2,2,8-trimethylnon-5-en-1-amine
CID 88973639
(E)-N-tert-butyl-7,7-difluoro-2,2-dimethyloct-5-en-1-amine
CID 88975393
(3Z)-N-(2-fluoroethyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 89153630
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
N,N'-dibutyl-N'-[(E)-4,6-difluoro-2-methylidenehex-3-enyl]-2-methylpentane-1,5-diamine
CID 89204481
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
CID 89320137
(Z)-N-ethyl-2-[(2S)-2-fluoropentan-3-yl]pent-3-en-1-amine
CID 90261572
N-[(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)methyl]-2-methylpropan-1-amine
CID 90831730

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine?
The IUPAC name of (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine (CID 143866557) is (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine.
What is the SMILES notation for (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine?
The canonical SMILES for (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine is C=CC(=CC(C)/C(=C\C)CCNCC)C(F)(F)F.
What is the InChIKey of (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine?
The InChIKey is UGWDDSYWTNEKGH-FIXFVXKCSA-N. The full InChI is InChI=1S/C14H22F3N/c1-5-12(8-9-18-7-3)11(4)10-13(6-2)14(15,16)17/h5-6,10-11,18H,2,7-9H2,1,3-4H3/b12-5-,13-10?.
What are the key properties of (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine?
(3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine has a molecular weight of 261.33 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3-ethylidene-4-methyl-6-(trifluoromethyl)octa-5,7-dien-1-amine is sourced from PubChem (CID 143866557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).