ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine

C16H32FNO — CID 143806727

IUPACethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
SMILESCC.CC/C(OC)=C(\C=C(C)C)CCCCCNF
InChIInChI=1S/C14H26FNO.C2H6/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15;1-2/h11,16H,5-10H2,1-4H3;1-2H3/b14-13+;
InChIKeyIGIYKJSGXNKWSI-IERUDJENSA-N
MW273.44 g/mol
LogP5.32
Rot. Bonds9

About ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine

ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine (PubChem CID 143806727) has the molecular formula C16H32FNO and a molecular weight of 273.44 g/mol. Its IUPAC name is ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
PubChem CID143806727
Molecular FormulaC16H32FNO
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC Nameethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
SMILESCC.CC/C(OC)=C(\C=C(C)C)CCCCCNF
InChIInChI=1S/C14H26FNO.C2H6/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15;1-2/h11,16H,5-10H2,1-4H3;1-2H3/b14-13+;
InChIKeyIGIYKJSGXNKWSI-IERUDJENSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 55.32
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
2-[(5Z,6Z)-6-ethylidene-5-[(E)-3-methoxyprop-2-enylidene]cyclohepta-1,3-dien-1-yl]ethanamine
CID 143088497
3-[(6E)-6-[(E)-3-methoxypent-3-enylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]propan-1-amine
CID 143088498
ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806676

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
The IUPAC name of ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine (CID 143806727) is ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine.
What is the SMILES notation for ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
The canonical SMILES for ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine is CC.CC/C(OC)=C(\C=C(C)C)CCCCCNF.
What is the InChIKey of ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
The InChIKey is IGIYKJSGXNKWSI-IERUDJENSA-N. The full InChI is InChI=1S/C14H26FNO.C2H6/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15;1-2/h11,16H,5-10H2,1-4H3;1-2H3/b14-13+;.
What are the key properties of ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine has a molecular weight of 273.44 g/mol, XLogP of 5.32, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine is sourced from PubChem (CID 143806727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).