(4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine

C18H28FN — CID 134297747

IUPAC(4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine
SMILESC=C(CCCCC)NC(=C)C(=C)/C(F)=C/C=C(/C)CC
InChIInChI=1S/C18H28FN/c1-7-9-10-11-15(4)20-17(6)16(5)18(19)13-12-14(3)8-2/h12-13,20H,4-11H2,1-3H3/b14-12-,18-13+
InChIKeyGBZSAAJGMJVWDM-FGFUYGETSA-N
MW277.43 g/mol
LogP5.95
Rot. Bonds10

About (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine

(4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine (PubChem CID 134297747) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine
PubChem CID134297747
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name(4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine
SMILESC=C(CCCCC)NC(=C)C(=C)/C(F)=C/C=C(/C)CC
InChIInChI=1S/C18H28FN/c1-7-9-10-11-15(4)20-17(6)16(5)18(19)13-12-14(3)8-2/h12-13,20H,4-11H2,1-3H3/b14-12-,18-13+
InChIKeyGBZSAAJGMJVWDM-FGFUYGETSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.43
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine?
The IUPAC name of (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine (CID 134297747) is (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine.
What is the SMILES notation for (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine?
The canonical SMILES for (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine is C=C(CCCCC)NC(=C)C(=C)/C(F)=C/C=C(/C)CC.
What is the InChIKey of (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine?
The InChIKey is GBZSAAJGMJVWDM-FGFUYGETSA-N. The full InChI is InChI=1S/C18H28FN/c1-7-9-10-11-15(4)20-17(6)16(5)18(19)13-12-14(3)8-2/h12-13,20H,4-11H2,1-3H3/b14-12-,18-13+.
What are the key properties of (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine?
(4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine has a molecular weight of 277.43 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-fluoro-N-hept-1-en-2-yl-7-methyl-3-methylidenenona-1,4,6-trien-2-amine is sourced from PubChem (CID 134297747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).