(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine

C16H26FN — CID 164546262

IUPAC(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine
SMILESC=C/C=C/C(C(/C=C\CC)=C/C)N(CC)CCF
InChIInChI=1S/C16H26FN/c1-5-9-11-15(7-3)16(12-10-6-2)18(8-4)14-13-17/h6-7,9-12,16H,2,5,8,13-14H2,1,3-4H3/b11-9-,12-10+,15-7+
InChIKeyWAMQOXSTNDDLRN-WRKFOYQBSA-N
MW251.39 g/mol
LogP4.30
Rot. Bonds9

About (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine

(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine (PubChem CID 164546262) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine.

Molecular Properties

Compound Name(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine
PubChem CID164546262
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine
SMILESC=C/C=C/C(C(/C=C\CC)=C/C)N(CC)CCF
InChIInChI=1S/C16H26FN/c1-5-9-11-15(7-3)16(12-10-6-2)18(8-4)14-13-17/h6-7,9-12,16H,2,5,8,13-14H2,1,3-4H3/b11-9-,12-10+,15-7+
InChIKeyWAMQOXSTNDDLRN-WRKFOYQBSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
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 (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine?
The IUPAC name of (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine (CID 164546262) is (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine.
What is the SMILES notation for (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine?
The canonical SMILES for (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine is C=C/C=C/C(C(/C=C\CC)=C/C)N(CC)CCF.
What is the InChIKey of (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine?
The InChIKey is WAMQOXSTNDDLRN-WRKFOYQBSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-9-11-15(7-3)16(12-10-6-2)18(8-4)14-13-17/h6-7,9-12,16H,2,5,8,13-14H2,1,3-4H3/b11-9-,12-10+,15-7+.
What are the key properties of (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine?
(3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine has a molecular weight of 251.39 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E,7Z)-N-ethyl-6-ethylidene-N-(2-fluoroethyl)deca-1,3,7-trien-5-amine is sourced from PubChem (CID 164546262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).