(3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine

C18H20FN — CID 145173378

IUPAC(3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine
SMILESC=C(N)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C1=CC=CCC1
InChIInChI=1S/C18H20FN/c1-13(10-11-15(3)20)16(4)18(19)12-14(2)17-8-6-5-7-9-17/h5-6,8,10-12H,1-4,7,9,20H2/b11-10-,18-12+
InChIKeyVPPOHFSJHPOAEV-RDWZXGDNSA-N
MW269.36 g/mol
LogP4.81
Rot. Bonds6

About (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine

(3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine (PubChem CID 145173378) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine.

Molecular Properties

Compound Name(3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine
PubChem CID145173378
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name(3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine
SMILESC=C(N)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C1=CC=CCC1
InChIInChI=1S/C18H20FN/c1-13(10-11-15(3)20)16(4)18(19)12-14(2)17-8-6-5-7-9-17/h5-6,8,10-12H,1-4,7,9,20H2/b11-10-,18-12+
InChIKeyVPPOHFSJHPOAEV-RDWZXGDNSA-N
XLogP4.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Benzo[7]annulen-7-amine
CID 19915662
(3Z,6E,8E,11E,13Z,15Z,17Z,20Z)-9-ethyl-15-(1-fluoroethyl)-3,6,11,18,20-pentamethyl-13-prop-2-enylidenedocosa-1,3,6,8,11,15,17,20-octaen-7-amine
CID 126746019
6-fluoro-2-methyl-5-[(3Z,5Z)-4-methylhepta-1,3,5-trien-2-yl]cyclohexa-1,5-dien-1-amine
CID 130456798
(3Z,5Z,7Z,9E)-5-ethylidene-9-(1-fluoroprop-2-enylidene)-11-methylidene-4-propyltrideca-1,3,7-trien-2-amine
CID 132012607
6-fluoro-2-methyl-5-[(2Z,4Z)-3-methylhexa-2,4-dienyl]cyclohexa-1,5-dien-1-amine
CID 132047167
5-Ethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 134389739
(2E,4Z,8Z,10Z)-9,12-difluoro-4,8-dimethyltrideca-2,4,8,10-tetraen-3-amine
CID 134448576
(3E,6E,8E,10Z)-9-ethenyl-6-methyl-4-prop-1-en-2-yl-10-(3,3,3-trifluoroprop-1-en-2-yl)trideca-3,6,8,10-tetraen-3-amine
CID 139376902
(3E)-2-(3-fluorocyclohexa-1,3-dien-1-yl)hexa-1,3,5-trien-3-amine
CID 143697707
(3Z,7E,11Z)-8-fluoro-13-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
CID 144644205
(1Z,3Z)-1-(3-fluorocyclohexa-1,5-dien-1-yl)penta-1,3-diene-1,4-diamine
CID 147059226
(3E,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-3-amine
CID 153584025

Frequently Asked Questions

What is the IUPAC name of (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine?
The IUPAC name of (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine (CID 145173378) is (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine.
What is the SMILES notation for (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine?
The canonical SMILES for (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine is C=C(N)/C=C\C(=C)C(=C)/C(F)=C\C(=C)C1=CC=CCC1.
What is the InChIKey of (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine?
The InChIKey is VPPOHFSJHPOAEV-RDWZXGDNSA-N. The full InChI is InChI=1S/C18H20FN/c1-13(10-11-15(3)20)16(4)18(19)12-14(2)17-8-6-5-7-9-17/h5-6,8,10-12H,1-4,7,9,20H2/b11-10-,18-12+.
What are the key properties of (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine?
(3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine has a molecular weight of 269.36 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7E)-9-cyclohexa-1,3-dien-1-yl-7-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-amine is sourced from PubChem (CID 145173378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).