(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine

C16H24FN — CID 143750069

IUPAC(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine
SMILESC=C1/C=C\C(F)=C/CN(C)/C(C)=C\1CCCCC
InChIInChI=1S/C16H24FN/c1-5-6-7-8-16-13(2)9-10-15(17)11-12-18(4)14(16)3/h9-11H,2,5-8,12H2,1,3-4H3/b10-9-,15-11+,16-14-
InChIKeyRVWAJJIFVNTATI-XBJJAIEVSA-N
MW249.37 g/mol
LogP4.75
Rot. Bonds4

About (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine

(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine (PubChem CID 143750069) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine.

Molecular Properties

Compound Name(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine
PubChem CID143750069
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine
SMILESC=C1/C=C\C(F)=C/CN(C)/C(C)=C\1CCCCC
InChIInChI=1S/C16H24FN/c1-5-6-7-8-16-13(2)9-10-15(17)11-12-18(4)14(16)3/h9-11H,2,5-8,12H2,1,3-4H3/b10-9-,15-11+,16-14-
InChIKeyRVWAJJIFVNTATI-XBJJAIEVSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine with MolForge

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Related Compounds

(2Z,5E,6Z)-3-ethenyl-N-[(2E)-2-ethenyl-5-methylhexa-2,4-dienyl]-N-ethyl-5-(2-fluoroethylidene)-7-methyl-4-methylidenenona-2,6,8-trien-2-amine
CID 135266313
(2E)-1-fluoro-7-methyl-4,5-dimethylidene-N,N-dipropylocta-2,7-dien-2-amine
CID 135266370
(2Z,5E,7Z)-3-butyl-5-fluoro-N,N-dimethylnona-2,5,7-trien-2-amine
CID 143750184
(4Z)-N,12-dimethyl-6-methylidene-N-(1,1,1-trifluorobutan-2-yl)trideca-1,4,12-trien-2-amine
CID 146633931
6-ethenyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-1-methyl-3,4-dihydro-2H-pyridine
CID 156800339
6-ethenyl-1-ethyl-5-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3,4-dihydro-2H-pyridine
CID 156800392
1-ethyl-3-(2-fluoroethyl)-5-methyl-4-methylidene-2-[(Z)-prop-1-enyl]pyridine
CID 167018846
(7Z)-1-(2-methylprop-2-enyl)-7-propylidene-5-(4,4,4-trifluorobutyl)-4H-azepine
CID 170271480
(3Z,5Z,8Z)-1-[(2E,4E)-1,5-difluorohepta-2,4,6-trien-2-yl]-6-methyl-2,7-dihydroazonine
CID 142203469
(3Z,5E,8Z)-1-tert-butyl-5-fluoro-9-[(1E)-3-methylbuta-1,3-dienyl]-2,7-dihydroazonine
CID 143968698
(E)-1-cyclohexylidene-N,N-diethylhept-2-en-1-amine
CID 15315666
(2Z)-3,7-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-N-prop-2-enylocta-2,6-dien-1-amine
CID 88927977

Frequently Asked Questions

What is the IUPAC name of (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine?
The IUPAC name of (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine (CID 143750069) is (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine.
What is the SMILES notation for (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine?
The canonical SMILES for (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine is C=C1/C=C\C(F)=C/CN(C)/C(C)=C\1CCCCC.
What is the InChIKey of (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine?
The InChIKey is RVWAJJIFVNTATI-XBJJAIEVSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-6-7-8-16-13(2)9-10-15(17)11-12-18(4)14(16)3/h9-11H,2,5-8,12H2,1,3-4H3/b10-9-,15-11+,16-14-.
What are the key properties of (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine?
(3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine has a molecular weight of 249.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z,8Z)-4-fluoro-1,9-dimethyl-7-methylidene-8-pentyl-2H-azonine is sourced from PubChem (CID 143750069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).