(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine

C18H30FN — CID 166651598

IUPAC(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
SMILESC/C=C\C(=C/C(=C/C)C(C)/C=C(\NCC)C(C)F)CC
InChIInChI=1S/C18H30FN/c1-7-11-16(8-2)13-17(9-3)14(5)12-18(15(6)19)20-10-4/h7,9,11-15,20H,8,10H2,1-6H3/b11-7-,16-13-,17-9-,18-12-
InChIKeyMLRNVGBMZDRPLS-VGCWUDDNSA-N
MW279.44 g/mol
LogP5.33
Rot. Bonds8

About (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine

(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine (PubChem CID 166651598) has the molecular formula C18H30FN and a molecular weight of 279.44 g/mol. Its IUPAC name is (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine.

Molecular Properties

Compound Name(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
PubChem CID166651598
Molecular FormulaC18H30FN
Molecular Weight279.44 g/mol
Exact Mass279.24
IUPAC Name(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine
SMILESC/C=C\C(=C/C(=C/C)C(C)/C=C(\NCC)C(C)F)CC
InChIInChI=1S/C18H30FN/c1-7-11-16(8-2)13-17(9-3)14(5)12-18(15(6)19)20-10-4/h7,9,11-15,20H,8,10H2,1-6H3/b11-7-,16-13-,17-9-,18-12-
InChIKeyMLRNVGBMZDRPLS-VGCWUDDNSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine?
The IUPAC name of (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine (CID 166651598) is (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine.
What is the SMILES notation for (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine?
The canonical SMILES for (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine is C/C=C\C(=C/C(=C/C)C(C)/C=C(\NCC)C(C)F)CC.
What is the InChIKey of (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine?
The InChIKey is MLRNVGBMZDRPLS-VGCWUDDNSA-N. The full InChI is InChI=1S/C18H30FN/c1-7-11-16(8-2)13-17(9-3)14(5)12-18(15(6)19)20-10-4/h7,9,11-15,20H,8,10H2,1-6H3/b11-7-,16-13-,17-9-,18-12-.
What are the key properties of (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine?
(3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine has a molecular weight of 279.44 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6E,7Z,9Z)-N,8-diethyl-6-ethylidene-2-fluoro-5-methylundeca-3,7,9-trien-3-amine is sourced from PubChem (CID 166651598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).