4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine

C15H20FN — CID 156821650

IUPAC4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C1=CC=C(NCCC)CC1
InChIInChI=1S/C15H20FN/c1-4-11-17-15-9-7-14(8-10-15)12(2)5-6-13(3)16/h5-7,9,17H,2-4,8,10-11H2,1H3/b6-5-
InChIKeyLIZRRNDTLHWCPM-WAYWQWQTSA-N
MW233.33 g/mol
LogP4.19
Rot. Bonds6

About 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine

4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine (PubChem CID 156821650) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
PubChem CID156821650
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine
SMILESC=C(F)/C=C\C(=C)C1=CC=C(NCCC)CC1
InChIInChI=1S/C15H20FN/c1-4-11-17-15-9-7-14(8-10-15)12(2)5-6-13(3)16/h5-7,9,17H,2-4,8,10-11H2,1H3/b6-5-
InChIKeyLIZRRNDTLHWCPM-WAYWQWQTSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
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 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine (CID 156821650) is 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine is C=C(F)/C=C\C(=C)C1=CC=C(NCCC)CC1.
What is the InChIKey of 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine?
The InChIKey is LIZRRNDTLHWCPM-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H20FN/c1-4-11-17-15-9-7-14(8-10-15)12(2)5-6-13(3)16/h5-7,9,17H,2-4,8,10-11H2,1H3/b6-5-.
What are the key properties of 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine?
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine has a molecular weight of 233.33 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N-propylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 156821650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).