(3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine

C14H23F3N2 — CID 162589015

IUPAC(3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine
SMILESCC/C(=C\C=C(\N)CC(F)(F)F)N1C(C)CCC1C
InChIInChI=1S/C14H23F3N2/c1-4-13(19-10(2)5-6-11(19)3)8-7-12(18)9-14(15,16)17/h7-8,10-11H,4-6,9,18H2,1-3H3/b12-7+,13-8+
InChIKeyHXIQOYSZJHYESW-INOXDZRUSA-N
MW276.35 g/mol
LogP3.95
Rot. Bonds4

About (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine

(3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine (PubChem CID 162589015) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine
PubChem CID162589015
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name(3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine
SMILESCC/C(=C\C=C(\N)CC(F)(F)F)N1C(C)CCC1C
InChIInChI=1S/C14H23F3N2/c1-4-13(19-10(2)5-6-11(19)3)8-7-12(18)9-14(15,16)17/h7-8,10-11H,4-6,9,18H2,1-3H3/b12-7+,13-8+
InChIKeyHXIQOYSZJHYESW-INOXDZRUSA-N
XLogP3.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine
CID 89209238
4-(3,3-Difluoropyrrolidin-1-yl)cyclohexen-1-amine
CID 174318047
(Z)-N,N-dimethyl-1-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-2-yl]pent-1-en-1-amine
CID 172335255

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine?
The IUPAC name of (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine (CID 162589015) is (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine.
What is the SMILES notation for (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine?
The canonical SMILES for (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine is CC/C(=C\C=C(\N)CC(F)(F)F)N1C(C)CCC1C.
What is the InChIKey of (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine?
The InChIKey is HXIQOYSZJHYESW-INOXDZRUSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-4-13(19-10(2)5-6-11(19)3)8-7-12(18)9-14(15,16)17/h7-8,10-11H,4-6,9,18H2,1-3H3/b12-7+,13-8+.
What are the key properties of (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine?
(3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine has a molecular weight of 276.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(2,5-dimethylpyrrolidin-1-yl)-1,1,1-trifluoroocta-3,5-dien-3-amine is sourced from PubChem (CID 162589015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).