(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine

C16H24FN — CID 130349581

IUPAC(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
SMILESC=C(NCCF)/C(=C/C)C(=C)/C(C)=C\C(C)=C/C
InChIInChI=1S/C16H24FN/c1-7-12(3)11-13(4)14(5)16(8-2)15(6)18-10-9-17/h7-8,11,18H,5-6,9-10H2,1-4H3/b12-7-,13-11-,16-8+
InChIKeyMVUMRRWAIIFUCT-YCHKXISFSA-N
MW249.37 g/mol
LogP4.47
Rot. Bonds7

About (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine

(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine (PubChem CID 130349581) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine.

Molecular Properties

Compound Name(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
PubChem CID130349581
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
SMILESC=C(NCCF)/C(=C/C)C(=C)/C(C)=C\C(C)=C/C
InChIInChI=1S/C16H24FN/c1-7-12(3)11-13(4)14(5)16(8-2)15(6)18-10-9-17/h7-8,11,18H,5-6,9-10H2,1-4H3/b12-7-,13-11-,16-8+
InChIKeyMVUMRRWAIIFUCT-YCHKXISFSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

[(2E)-2-ethylidene-5-fluoro-6-methyl-4-propyl-1H-pyridin-3-yl]methanamine
CID 70913563
(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
1-[(5Z,6Z)-5-ethylidene-4-fluoro-6-(3-methylbut-2-enylidene)cyclohexa-1,3-dien-1-yl]-N-methylethenamine
CID 89179384
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
N'-[(2E)-6-(trifluoromethyl)hepta-2,6-dien-3-yl]pentane-1,5-diamine
CID 89209357
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
5-fluoro-2-methyl-2,4-dihydro-1H-indole
CID 89846202
[6-(3-Fluoro-3-iodobutyl)-1,2-dihydropyridin-3-yl]methanamine
CID 124095642
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
CID 126586946
(4Z,6E,7E,9Z)-6-(3-fluoro-3-methylbutylidene)-N-hepta-1,6-dien-2-yl-2,2,7,9-tetramethylundeca-4,7,9-trien-1-amine
CID 126586993
1-(7-fluorocyclohepta-1,6-dien-1-yl)-N-propylbutan-1-amine
CID 132198554

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine?
The IUPAC name of (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine (CID 130349581) is (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine.
What is the SMILES notation for (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine?
The canonical SMILES for (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine is C=C(NCCF)/C(=C/C)C(=C)/C(C)=C\C(C)=C/C.
What is the InChIKey of (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine?
The InChIKey is MVUMRRWAIIFUCT-YCHKXISFSA-N. The full InChI is InChI=1S/C16H24FN/c1-7-12(3)11-13(4)14(5)16(8-2)15(6)18-10-9-17/h7-8,11,18H,5-6,9-10H2,1-4H3/b12-7-,13-11-,16-8+.
What are the key properties of (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine?
(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine has a molecular weight of 249.37 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine is sourced from PubChem (CID 130349581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).