(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine

C11H16FN — CID 139402965

IUPAC(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
SMILESC=C/C=C(C=C)\C=C(\NC)C(C)F
InChIInChI=1S/C11H16FN/c1-5-7-10(6-2)8-11(13-4)9(3)12/h5-9,13H,1-2H2,3-4H3/b10-7-,11-8+
InChIKeyPTSVZBYUGLVUDB-BDLVGCLISA-N
MW181.25 g/mol
LogP2.75
Rot. Bonds5

About (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine

(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine (PubChem CID 139402965) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
PubChem CID139402965
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
SMILESC=C/C=C(C=C)\C=C(\NC)C(C)F
InChIInChI=1S/C11H16FN/c1-5-7-10(6-2)8-11(13-4)9(3)12/h5-9,13H,1-2H2,3-4H3/b10-7-,11-8+
InChIKeyPTSVZBYUGLVUDB-BDLVGCLISA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dimethyl-1,4-Azepin
CID 21560535
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
5-fluoro-N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 89209299
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
3-fluoro-N-methylcyclopenta-1,3-dien-1-amine
CID 117753829
2-ethylidene-3-(1-fluoropropylidene)-1H-pyrrole
CID 123276003
2-ethylidene-3-(1-fluoroethylidene)-1H-pyrrole
CID 123394351
3-(1-fluoroethylidene)-2-propylidene-1H-pyrrole
CID 123451091
(4Z,6Z)-N-(2,2-dimethylpropyl)-9-fluoro-9-methyldeca-1,4,6-trien-2-amine
CID 126586946
5-fluoro-N-methylcyclohepta-1,4,6-trien-1-amine
CID 129018806
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine?
The IUPAC name of (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine (CID 139402965) is (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine is C=C/C=C(C=C)\C=C(\NC)C(C)F.
What is the InChIKey of (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine?
The InChIKey is PTSVZBYUGLVUDB-BDLVGCLISA-N. The full InChI is InChI=1S/C11H16FN/c1-5-7-10(6-2)8-11(13-4)9(3)12/h5-9,13H,1-2H2,3-4H3/b10-7-,11-8+.
What are the key properties of (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine?
(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine has a molecular weight of 181.25 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 139402965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).