(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine

C16H26FN — CID 130317615

IUPAC(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
SMILESC=C(/C=C(/C)CN(C)CC)CC(=C/C)/C=C/CF
InChIInChI=1S/C16H26FN/c1-6-16(9-8-10-17)12-14(3)11-15(4)13-18(5)7-2/h6,8-9,11H,3,7,10,12-13H2,1-2,4-5H3/b9-8+,15-11-,16-6+
InChIKeyIEVPNSCGIBUVHP-IZJQZKCZSA-N
MW251.39 g/mol
LogP4.30
Rot. Bonds8

About (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine

(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine (PubChem CID 130317615) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine.

Molecular Properties

Compound Name(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
PubChem CID130317615
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine
SMILESC=C(/C=C(/C)CN(C)CC)CC(=C/C)/C=C/CF
InChIInChI=1S/C16H26FN/c1-6-16(9-8-10-17)12-14(3)11-15(4)13-18(5)7-2/h6,8-9,11H,3,7,10,12-13H2,1-2,4-5H3/b9-8+,15-11-,16-6+
InChIKeyIEVPNSCGIBUVHP-IZJQZKCZSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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'}

Analyze (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine?
The IUPAC name of (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine (CID 130317615) is (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine.
What is the SMILES notation for (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine?
The canonical SMILES for (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine is C=C(/C=C(/C)CN(C)CC)CC(=C/C)/C=C/CF.
What is the InChIKey of (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine?
The InChIKey is IEVPNSCGIBUVHP-IZJQZKCZSA-N. The full InChI is InChI=1S/C16H26FN/c1-6-16(9-8-10-17)12-14(3)11-15(4)13-18(5)7-2/h6,8-9,11H,3,7,10,12-13H2,1-2,4-5H3/b9-8+,15-11-,16-6+.
What are the key properties of (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine?
(2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z,7E)-N-ethyl-6-ethylidene-9-fluoro-N,2-dimethyl-4-methylidenenona-2,7-dien-1-amine is sourced from PubChem (CID 130317615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).