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

C14H24FNO — CID 143806677

IUPAC(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
SMILESCC/C(OC)=C(C=C(C)C)/C=C/CCCNF
InChIInChI=1S/C14H24FNO/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15/h7,9,11,16H,5-6,8,10H2,1-4H3/b9-7+,14-13+
InChIKeyYLMKLECVLLBGPM-ZEOGUJRDSA-N
MW241.35 g/mol
LogP4.07
Rot. Bonds8

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

(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine (PubChem CID 143806677) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
PubChem CID143806677
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
SMILESCC/C(OC)=C(C=C(C)C)/C=C/CCCNF
InChIInChI=1S/C14H24FNO/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15/h7,9,11,16H,5-6,8,10H2,1-4H3/b9-7+,14-13+
InChIKeyYLMKLECVLLBGPM-ZEOGUJRDSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 54.07
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
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806728
2-(Oxepin-4-yl)ethanamine
CID 21621507
(E,3Z)-3-ethylidene-5-methoxyhept-4-en-6-yn-1-amine
CID 89222319
8-Methoxy-2-prop-1-enylocta-2,3,7-trien-1-amine
CID 123211860
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558
Ethanamine;1-methoxycyclohexa-1,3-diene
CID 141968490
(3Z,5Z)-4-methoxy-3-methylocta-3,5,7-trien-1-amine
CID 141975532
(3E)-3-ethenyl-4-methoxyhexa-3,5-dien-1-amine
CID 143031161
ethane;(2E,4Z)-5-methoxy-4-methylhexa-2,4-dien-1-amine;propane
CID 143386964
ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806676
ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806727

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
The IUPAC name of (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine (CID 143806677) is (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine.
What is the SMILES notation for (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
The canonical SMILES for (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine is CC/C(OC)=C(C=C(C)C)/C=C/CCCNF.
What is the InChIKey of (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
The InChIKey is YLMKLECVLLBGPM-ZEOGUJRDSA-N. The full InChI is InChI=1S/C14H24FNO/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15/h7,9,11,16H,5-6,8,10H2,1-4H3/b9-7+,14-13+.
What are the key properties of (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine?
(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine has a molecular weight of 241.35 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine is sourced from PubChem (CID 143806677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).