(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine

C19H28F3N — CID 143153059

IUPAC(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine
SMILESC=C(C)C(=C\C=C/C)/C(=C\C(=C)C(F)(F)F)CCCNCCC
InChIInChI=1S/C19H28F3N/c1-6-8-11-18(15(3)4)17(10-9-13-23-12-7-2)14-16(5)19(20,21)22/h6,8,11,14,23H,3,5,7,9-10,12-13H2,1-2,4H3/b8-6-,17-14-,18-11+
InChIKeyMERBFIIAMTYPDO-KXAKOSAWSA-N
MW327.43 g/mol
LogP5.89
Rot. Bonds10

About (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine

(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine (PubChem CID 143153059) has the molecular formula C19H28F3N and a molecular weight of 327.43 g/mol. Its IUPAC name is (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine.

Molecular Properties

Compound Name(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine
PubChem CID143153059
Molecular FormulaC19H28F3N
Molecular Weight327.43 g/mol
Exact Mass327.22
IUPAC Name(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine
SMILESC=C(C)C(=C\C=C/C)/C(=C\C(=C)C(F)(F)F)CCCNCCC
InChIInChI=1S/C19H28F3N/c1-6-8-11-18(15(3)4)17(10-9-13-23-12-7-2)14-16(5)19(20,21)22/h6,8,11,14,23H,3,5,7,9-10,12-13H2,1-2,4H3/b8-6-,17-14-,18-11+
InChIKeyMERBFIIAMTYPDO-KXAKOSAWSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(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
3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
2-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 123678062
(Z,4E)-4-[(E)-dec-3-enylidene]-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trienyl]pent-2-ene-1,5-diamine
CID 126659142
N-[(3Z,5E)-8,8,8-trifluoro-3-[(Z)-prop-1-enyl]octa-3,5-dienyl]cyclohexanamine
CID 126728484
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973
(6E,8Z)-9-[(Z)-1,2-difluoroethenyl]-N-ethyl-4,4,6-trimethyltrideca-6,8-dien-1-amine
CID 130242904
7,9-difluoro-N,4-dimethyl-6-methylideneundeca-7,10-dien-1-amine
CID 130243324
(E)-N-ethenyl-5-(trifluoromethyl)oct-5-en-1-amine
CID 130348554
N-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
CID 130390669

Frequently Asked Questions

What is the IUPAC name of (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine?
The IUPAC name of (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine (CID 143153059) is (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine.
What is the SMILES notation for (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine?
The canonical SMILES for (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine is C=C(C)C(=C\C=C/C)/C(=C\C(=C)C(F)(F)F)CCCNCCC.
What is the InChIKey of (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine?
The InChIKey is MERBFIIAMTYPDO-KXAKOSAWSA-N. The full InChI is InChI=1S/C19H28F3N/c1-6-8-11-18(15(3)4)17(10-9-13-23-12-7-2)14-16(5)19(20,21)22/h6,8,11,14,23H,3,5,7,9-10,12-13H2,1-2,4H3/b8-6-,17-14-,18-11+.
What are the key properties of (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine?
(4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine has a molecular weight of 327.43 g/mol, XLogP of 5.89, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E,7Z)-5-prop-1-en-2-yl-N-propyl-4-[2-(trifluoromethyl)prop-2-enylidene]nona-5,7-dien-1-amine is sourced from PubChem (CID 143153059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).