5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine

C16H28FN — CID 166976507

IUPAC5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
SMILESC=C=C(C)C(CC)CC(CC)C(F)(CC=C)NC
InChIInChI=1S/C16H28FN/c1-7-11-16(17,18-6)15(10-4)12-14(9-3)13(5)8-2/h7,14-15,18H,1-2,9-12H2,3-6H3
InChIKeyYMHZFBFLCCMUNI-UHFFFAOYSA-N
MW253.40 g/mol
LogP4.62
Rot. Bonds9

About 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine

5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine (PubChem CID 166976507) has the molecular formula C16H28FN and a molecular weight of 253.40 g/mol. Its IUPAC name is 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine.

Molecular Properties

Compound Name5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
PubChem CID166976507
Molecular FormulaC16H28FN
Molecular Weight253.40 g/mol
Exact Mass253.22
IUPAC Name5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine
SMILESC=C=C(C)C(CC)CC(CC)C(F)(CC=C)NC
InChIInChI=1S/C16H28FN/c1-7-11-16(17,18-6)15(10-4)12-14(9-3)13(5)8-2/h7,14-15,18H,1-2,9-12H2,3-6H3
InChIKeyYMHZFBFLCCMUNI-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine?
The IUPAC name of 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine (CID 166976507) is 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine.
What is the SMILES notation for 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine?
The canonical SMILES for 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine is C=C=C(C)C(CC)CC(CC)C(F)(CC=C)NC.
What is the InChIKey of 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine?
The InChIKey is YMHZFBFLCCMUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN/c1-7-11-16(17,18-6)15(10-4)12-14(9-3)13(5)8-2/h7,14-15,18H,1-2,9-12H2,3-6H3.
What are the key properties of 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine?
5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine has a molecular weight of 253.40 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-4-fluoro-N,8-dimethyldeca-1,8,9-trien-4-amine is sourced from PubChem (CID 166976507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).