(2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine

C14H22F3N — CID 142096317

IUPAC(2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N(CCC)CCC)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-5-10-18(11-6-2)12(4)8-9-13(7-3)14(15,16)17/h7-9H,3,5-6,10-11H2,1-2,4H3/b12-8+,13-9+
InChIKeyPXUGYNZENOWLIL-QHKWOANTSA-N
MW261.33 g/mol
LogP4.69
Rot. Bonds7

About (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine

(2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine (PubChem CID 142096317) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine
PubChem CID142096317
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine
SMILESC=C/C(=C\C=C(/C)N(CCC)CCC)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-5-10-18(11-6-2)12(4)8-9-13(7-3)14(15,16)17/h7-9H,3,5-6,10-11H2,1-2,4H3/b12-8+,13-9+
InChIKeyPXUGYNZENOWLIL-QHKWOANTSA-N
XLogP4.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.69
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 (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The IUPAC name of (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine (CID 142096317) is (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine is C=C/C(=C\C=C(/C)N(CCC)CCC)C(F)(F)F.
What is the InChIKey of (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
The InChIKey is PXUGYNZENOWLIL-QHKWOANTSA-N. The full InChI is InChI=1S/C14H22F3N/c1-5-10-18(11-6-2)12(4)8-9-13(7-3)14(15,16)17/h7-9H,3,5-6,10-11H2,1-2,4H3/b12-8+,13-9+.
What are the key properties of (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine?
(2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine has a molecular weight of 261.33 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N,N-dipropyl-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine is sourced from PubChem (CID 142096317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).