ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine

C16H30FNO — CID 143806676

IUPACethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
SMILESCC.CC/C(OC)=C(C=C(C)C)/C=C/CCCNF
InChIInChI=1S/C14H24FNO.C2H6/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15;1-2/h7,9,11,16H,5-6,8,10H2,1-4H3;1-2H3/b9-7+,14-13+;
InChIKeyJAXJBTFOQWVYMF-MZMQDADASA-N
MW271.42 g/mol
LogP5.10
Rot. Bonds8

About ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine

ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine (PubChem CID 143806676) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine.

Molecular Properties

Compound Nameethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
PubChem CID143806676
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Nameethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
SMILESCC.CC/C(OC)=C(C=C(C)C)/C=C/CCCNF
InChIInChI=1S/C14H24FNO.C2H6/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15;1-2/h7,9,11,16H,5-6,8,10H2,1-4H3;1-2H3/b9-7+,14-13+;
InChIKeyJAXJBTFOQWVYMF-MZMQDADASA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-3-ethyl-7-fluoro-6-methoxyhepta-3,5-dien-1-amine
CID 145615449
(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806677
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
CID 143088498
ethane;(2E,4Z)-5-methoxy-4-methylhexa-2,4-dien-1-amine;propane
CID 143386964
ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806727
(3Z,5E)-6-ethoxy-3-[(E)-2-methoxyprop-1-enyl]hepta-3,5-dien-1-amine
CID 144020851
(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dien-1-amine
CID 144268974
(3Z,5E)-6-methoxy-3-[(E)-2-methoxyethenyl]hepta-3,5-dien-1-amine
CID 144485487
butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene
CID 153364880
(3Z,5E)-6-ethoxy-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
CID 170759622
[4-[(2Z,4Z)-2-ethoxyhepta-2,4,6-trien-3-yl]cyclohepta-1,3,5-trien-1-yl]methanamine
CID 143161653

Frequently Asked Questions

What is the IUPAC name of ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
The IUPAC name of ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine (CID 143806676) is ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine.
What is the SMILES notation for ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
The canonical SMILES for ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine is CC.CC/C(OC)=C(C=C(C)C)/C=C/CCCNF.
What is the InChIKey of ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
The InChIKey is JAXJBTFOQWVYMF-MZMQDADASA-N. The full InChI is InChI=1S/C14H24FNO.C2H6/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15;1-2/h7,9,11,16H,5-6,8,10H2,1-4H3;1-2H3/b9-7+,14-13+;.
What are the key properties of ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine has a molecular weight of 271.42 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine is sourced from PubChem (CID 143806676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).