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

C14H26FNO — CID 143806728

IUPAC(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
SMILESCC/C(OC)=C(\C=C(C)C)CCCCCNF
InChIInChI=1S/C14H26FNO/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15/h11,16H,5-10H2,1-4H3/b14-13+
InChIKeyQKPJZHUDHRYUOK-BUHFOSPRSA-N
MW243.37 g/mol
LogP4.30
Rot. Bonds9

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

(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine (PubChem CID 143806728) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine.

Molecular Properties

Compound Name(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
PubChem CID143806728
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
SMILESCC/C(OC)=C(\C=C(C)C)CCCCCNF
InChIInChI=1S/C14H26FNO/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15/h11,16H,5-10H2,1-4H3/b14-13+
InChIKeyQKPJZHUDHRYUOK-BUHFOSPRSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.30
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
4-(1-Bromoethylidene)-6-methoxyhept-5-en-1-amine
CID 123848462
4-(4-Methoxycyclohexa-1,3-dien-1-yl)butan-1-amine
CID 142229938
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
ethane;(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine
CID 143806727
(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
CID 144586172
(Z,2Z,3E)-3-(methoxymethylidene)-4-methylidene-2-prop-2-enylidenenon-7-en-1-amine
CID 146489352
(2E,6Z)-2-butyl-6-methoxynona-2,6,8-trien-1-amine
CID 166895226
2-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanamine
CID 45090907

Frequently Asked Questions

What is the IUPAC name of (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
The IUPAC name of (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine (CID 143806728) is (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine.
What is the SMILES notation for (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
The canonical SMILES for (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine is CC/C(OC)=C(\C=C(C)C)CCCCCNF.
What is the InChIKey of (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
The InChIKey is QKPJZHUDHRYUOK-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H26FNO/c1-5-14(17-4)13(11-12(2)3)9-7-6-8-10-16-15/h11,16H,5-10H2,1-4H3/b14-13+.
What are the key properties of (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine?
(E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine has a molecular weight of 243.37 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)non-6-en-1-amine is sourced from PubChem (CID 143806728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).