(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine

C15H24F3N — CID 89320137

IUPAC(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
SMILESC=C/C(=C(\C=C/C)CCCNCCCC)C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-4-7-11-19-12-8-10-13(9-5-2)14(6-3)15(16,17)18/h5-6,9,19H,3-4,7-8,10-12H2,1-2H3/b9-5-,14-13-
InChIKeyMYCDEDATXBJMGA-KNYXPHRMSA-N
MW275.36 g/mol
LogP4.78
Rot. Bonds9

About (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine

(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine (PubChem CID 89320137) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
PubChem CID89320137
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine
SMILESC=C/C(=C(\C=C/C)CCCNCCCC)C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-4-7-11-19-12-8-10-13(9-5-2)14(6-3)15(16,17)18/h5-6,9,19H,3-4,7-8,10-12H2,1-2H3/b9-5-,14-13-
InChIKeyMYCDEDATXBJMGA-KNYXPHRMSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine?
The IUPAC name of (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine (CID 89320137) is (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine is C=C/C(=C(\C=C/C)CCCNCCCC)C(F)(F)F.
What is the InChIKey of (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine?
The InChIKey is MYCDEDATXBJMGA-KNYXPHRMSA-N. The full InChI is InChI=1S/C15H24F3N/c1-4-7-11-19-12-8-10-13(9-5-2)14(6-3)15(16,17)18/h5-6,9,19H,3-4,7-8,10-12H2,1-2H3/b9-5-,14-13-.
What are the key properties of (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine?
(4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine has a molecular weight of 275.36 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-butyl-4-[(Z)-prop-1-enyl]-5-(trifluoromethyl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 89320137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).