(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine

C16H31FN2O2 — CID 143418432

IUPAC(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine
SMILESC=C/C=C(\C=C/C(C)CC)C(OC)C(N)CF.CNOC
InChIInChI=1S/C14H24FNO.C2H7NO/c1-5-7-12(9-8-11(3)6-2)14(17-4)13(16)10-15;1-3-4-2/h5,7-9,11,13-14H,1,6,10,16H2,2-4H3;3H,1-2H3/b9-8-,12-7+;
InChIKeyHIHZCJPFLGGAHE-MNRHDEHZSA-N
MW302.43 g/mol
LogP2.78
Rot. Bonds9

About (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine

(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine (PubChem CID 143418432) has the molecular formula C16H31FN2O2 and a molecular weight of 302.43 g/mol. Its IUPAC name is (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine.

Molecular Properties

Compound Name(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine
PubChem CID143418432
Molecular FormulaC16H31FN2O2
Molecular Weight302.43 g/mol
Exact Mass302.24
IUPAC Name(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine
SMILESC=C/C=C(\C=C/C(C)CC)C(OC)C(N)CF.CNOC
InChIInChI=1S/C14H24FNO.C2H7NO/c1-5-7-12(9-8-11(3)6-2)14(17-4)13(16)10-15;1-3-4-2/h5,7-9,11,13-14H,1,6,10,16H2,2-4H3;3H,1-2H3/b9-8-,12-7+;
InChIKeyHIHZCJPFLGGAHE-MNRHDEHZSA-N
XLogP2.78
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine?
The IUPAC name of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine (CID 143418432) is (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine.
What is the SMILES notation for (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine?
The canonical SMILES for (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine is C=C/C=C(\C=C/C(C)CC)C(OC)C(N)CF.CNOC.
What is the InChIKey of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine?
The InChIKey is HIHZCJPFLGGAHE-MNRHDEHZSA-N. The full InChI is InChI=1S/C14H24FNO.C2H7NO/c1-5-7-12(9-8-11(3)6-2)14(17-4)13(16)10-15;1-3-4-2/h5,7-9,11,13-14H,1,6,10,16H2,2-4H3;3H,1-2H3/b9-8-,12-7+;.
What are the key properties of (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine?
(Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine has a molecular weight of 302.43 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4E)-1-fluoro-3-methoxy-7-methyl-4-prop-2-enylidenenon-5-en-2-amine;N-methoxymethanamine is sourced from PubChem (CID 143418432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).