(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine

C18H24FN — CID 135269196

IUPAC(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
SMILESC#C/C=C(C(=C/C)\NCC/C=C\C(F)=C/C=C)/C(C)C
InChIInChI=1S/C18H24FN/c1-6-11-16(19)13-9-10-14-20-18(8-3)17(12-7-2)15(4)5/h2,6,8-9,11-13,15,20H,1,10,14H2,3-5H3/b13-9-,16-11+,17-12-,18-8+
InChIKeyAMHNWMUJZAIXFE-ASVPJUIOSA-N
MW273.40 g/mol
LogP4.68
Rot. Bonds8

About (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine

(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine (PubChem CID 135269196) has the molecular formula C18H24FN and a molecular weight of 273.40 g/mol. Its IUPAC name is (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine.

Molecular Properties

Compound Name(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
PubChem CID135269196
Molecular FormulaC18H24FN
Molecular Weight273.40 g/mol
Exact Mass273.19
IUPAC Name(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine
SMILESC#C/C=C(C(=C/C)\NCC/C=C\C(F)=C/C=C)/C(C)C
InChIInChI=1S/C18H24FN/c1-6-11-16(19)13-9-10-14-20-18(8-3)17(12-7-2)15(4)5/h2,6,8-9,11-13,15,20H,1,10,14H2,3-5H3/b13-9-,16-11+,17-12-,18-8+
InChIKeyAMHNWMUJZAIXFE-ASVPJUIOSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.68
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine?
The IUPAC name of (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine (CID 135269196) is (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine.
What is the SMILES notation for (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine?
The canonical SMILES for (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine is C#C/C=C(C(=C/C)\NCC/C=C\C(F)=C/C=C)/C(C)C.
What is the InChIKey of (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine?
The InChIKey is AMHNWMUJZAIXFE-ASVPJUIOSA-N. The full InChI is InChI=1S/C18H24FN/c1-6-11-16(19)13-9-10-14-20-18(8-3)17(12-7-2)15(4)5/h2,6,8-9,11-13,15,20H,1,10,14H2,3-5H3/b13-9-,16-11+,17-12-,18-8+.
What are the key properties of (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine?
(2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine has a molecular weight of 273.40 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-[(3Z,5E)-5-fluoroocta-3,5,7-trienyl]-4-propan-2-ylhepta-2,4-dien-6-yn-3-amine is sourced from PubChem (CID 135269196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).