(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine

C20H30FNO — CID 143936414

IUPAC(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C)\C(=C/C)N(CC/C=C\C=C/COCCF)C(=C)C
InChIInChI=1S/C20H30FNO/c1-6-13-19(5)20(7-2)22(18(3)4)15-11-9-8-10-12-16-23-17-14-21/h6-10,12-13H,1,3,11,14-17H2,2,4-5H3/b9-8-,12-10-,19-13-,20-7+
InChIKeyLLOGJAYJRONZJH-VTRPTDGJSA-N
MW319.46 g/mol
LogP5.35
Rot. Bonds12

About (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine

(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine (PubChem CID 143936414) has the molecular formula C20H30FNO and a molecular weight of 319.46 g/mol. Its IUPAC name is (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
PubChem CID143936414
Molecular FormulaC20H30FNO
Molecular Weight319.46 g/mol
Exact Mass319.23
IUPAC Name(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine
SMILESC=C/C=C(C)\C(=C/C)N(CC/C=C\C=C/COCCF)C(=C)C
InChIInChI=1S/C20H30FNO/c1-6-13-19(5)20(7-2)22(18(3)4)15-11-9-8-10-12-16-23-17-14-21/h6-10,12-13H,1,3,11,14-17H2,2,4-5H3/b9-8-,12-10-,19-13-,20-7+
InChIKeyLLOGJAYJRONZJH-VTRPTDGJSA-N
XLogP5.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine with MolForge

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Related Compounds

N-[1-(2-ethylidene-6,7-difluorohepta-4,6-dienoxy)ethyl]-N-methylbutan-2-amine
CID 123227190
butane;(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine;ethane
CID 143683526
(2E)-N-[(2Z,4E)-6-ethoxy-4-fluorohexa-2,4-dienyl]-3,4-dimethylpenta-2,4-dien-2-amine
CID 166944290
(3Z,5Z,6E,9Z,11E)-11-N-butan-2-yl-5-[2-(2-fluoroethoxy)ethylidene]-8-methylidenetrideca-1,3,6,9,11-pentaene-2,11-diamine
CID 167046260
(4Z)-N-[(2E,4Z)-6-(1,1-difluoroethoxy)-2-methylhexa-2,4-dienyl]-N-hexan-3-yl-5-methyl-3-methylideneocta-1,4-dien-2-amine
CID 143683527
2-methoxy-1,5,6-trimethyl-2H-pyridine
CID 123225410
(2Z,4E)-N-ethyl-1-methoxy-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4-dien-4-amine
CID 138519123
(2E,3Z)-1-[(2Z)-2,4-dimethylhepta-2,6-dienyl]-5-(ethoxymethyl)-2,3-di(ethylidene)pyrrole
CID 173766105
(Z,2E)-N-butyl-5-chloro-2-ethylidene-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
CID 142550004
(Z,2Z)-N-butyl-2-(1-methoxyethylidene)-N-[(2E,4Z)-6-methoxyhexa-2,4-dien-3-yl]pent-3-en-1-amine
CID 142550031
(2E)-5-ethenyl-N,2-dimethyl-N-[(Z)-pent-2-en-3-yl]-1-propan-2-yloxyhepta-2,4,6-trien-3-amine
CID 172352077

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine (CID 143936414) is (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine is C=C/C=C(C)\C(=C/C)N(CC/C=C\C=C/COCCF)C(=C)C.
What is the InChIKey of (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine?
The InChIKey is LLOGJAYJRONZJH-VTRPTDGJSA-N. The full InChI is InChI=1S/C20H30FNO/c1-6-13-19(5)20(7-2)22(18(3)4)15-11-9-8-10-12-16-23-17-14-21/h6-10,12-13H,1,3,11,14-17H2,2,4-5H3/b9-8-,12-10-,19-13-,20-7+.
What are the key properties of (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine?
(2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine has a molecular weight of 319.46 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(3Z,5Z)-7-(2-fluoroethoxy)hepta-3,5-dienyl]-4-methyl-N-prop-1-en-2-ylhepta-2,4,6-trien-3-amine is sourced from PubChem (CID 143936414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).