(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine

C14H24FN — CID 134365833

IUPAC(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
SMILESC=C(F)/C=C\C(=C/C)C(C)CCCN(C)C
InChIInChI=1S/C14H24FN/c1-6-14(10-9-13(3)15)12(2)8-7-11-16(4)5/h6,9-10,12H,3,7-8,11H2,1-2,4-5H3/b10-9-,14-6+
InChIKeyCMDXHQDLXKLGQF-CHPBBVCSSA-N
MW225.35 g/mol
LogP3.95
Rot. Bonds7

About (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine

(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine (PubChem CID 134365833) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine.

Molecular Properties

Compound Name(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
PubChem CID134365833
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine
SMILESC=C(F)/C=C\C(=C/C)C(C)CCCN(C)C
InChIInChI=1S/C14H24FN/c1-6-14(10-9-13(3)15)12(2)8-7-11-16(4)5/h6,9-10,12H,3,7-8,11H2,1-2,4-5H3/b10-9-,14-6+
InChIKeyCMDXHQDLXKLGQF-CHPBBVCSSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.95
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 (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine?
The IUPAC name of (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine (CID 134365833) is (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine.
What is the SMILES notation for (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine?
The canonical SMILES for (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine is C=C(F)/C=C\C(=C/C)C(C)CCCN(C)C.
What is the InChIKey of (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine?
The InChIKey is CMDXHQDLXKLGQF-CHPBBVCSSA-N. The full InChI is InChI=1S/C14H24FN/c1-6-14(10-9-13(3)15)12(2)8-7-11-16(4)5/h6,9-10,12H,3,7-8,11H2,1-2,4-5H3/b10-9-,14-6+.
What are the key properties of (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine?
(5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-ethylidene-8-fluoro-N,N,4-trimethylnona-6,8-dien-1-amine is sourced from PubChem (CID 134365833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).