(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine

C17H24FN — CID 142236403

IUPAC(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=C/C)CNCC1=CC=C(C)CCC1
InChIInChI=1S/C17H24FN/c1-4-16(11-9-15(3)18)12-19-13-17-7-5-6-14(2)8-10-17/h4,8-11,19H,3,5-7,12-13H2,1-2H3/b11-9-,16-4+
InChIKeyLWGQTUZBJAGTGM-ZEEKNOEBSA-N
MW261.38 g/mol
LogP4.62
Rot. Bonds6

About (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine

(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine (PubChem CID 142236403) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine
PubChem CID142236403
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine
SMILESC=C(F)/C=C\C(=C/C)CNCC1=CC=C(C)CCC1
InChIInChI=1S/C17H24FN/c1-4-16(11-9-15(3)18)12-19-13-17-7-5-6-14(2)8-10-17/h4,8-11,19H,3,5-7,12-13H2,1-2H3/b11-9-,16-4+
InChIKeyLWGQTUZBJAGTGM-ZEEKNOEBSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-ethyl-6-fluoro-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]hept-4-en-1-amine
CID 123272222
(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-[2-[(1Z,4Z)-5-ethyl-2-(fluoromethyl)cyclodeca-1,4,6-trien-1-yl]ethyl]propan-1-amine
CID 130390669
1-(7-fluorocyclohepta-1,6-dien-1-yl)-N-propylbutan-1-amine
CID 132198554
(Z)-1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylbut-2-en-1-amine
CID 138672545
4-[(2E,4Z)-3-(trifluoromethyl)hepta-2,4-dien-4-yl]-1,2,3,6-tetrahydropyridine
CID 142247437
1-(6-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 143114176
(E)-2-ethyl-N-[(2-fluorocyclohexa-1,5-dien-1-yl)methyl]but-2-en-1-amine
CID 143135338
(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
1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 143321404
(2E)-2-fluoro-2-[(3E)-3-prop-2-enylideneazocan-5-ylidene]ethanamine
CID 143466495
ethane;1-[5-fluoro-3-(trifluoromethyl)cyclohepta-1,3-dien-1-yl]-N-methylmethanamine
CID 143615685

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine?
The IUPAC name of (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine (CID 142236403) is (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine is C=C(F)/C=C\C(=C/C)CNCC1=CC=C(C)CCC1.
What is the InChIKey of (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine?
The InChIKey is LWGQTUZBJAGTGM-ZEEKNOEBSA-N. The full InChI is InChI=1S/C17H24FN/c1-4-16(11-9-15(3)18)12-19-13-17-7-5-6-14(2)8-10-17/h4,8-11,19H,3,5-7,12-13H2,1-2H3/b11-9-,16-4+.
What are the key properties of (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine?
(2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine has a molecular weight of 261.38 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5-fluoro-N-[(4-methylcyclohepta-1,3-dien-1-yl)methyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 142236403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).