1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine

C15H26FN — CID 23123430

IUPAC1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCCCCN(CCC)C1(F)C=CC=CC1
InChIInChI=1S/C15H26FN/c1-3-5-6-10-14-17(13-4-2)15(16)11-8-7-9-12-15/h7-9,11H,3-6,10,12-14H2,1-2H3
InChIKeyGLTVZJFOQAZRDP-UHFFFAOYSA-N
MW239.38 g/mol
LogP4.46
Rot. Bonds8

About 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine

1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 23123430) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID23123430
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCCCCN(CCC)C1(F)C=CC=CC1
InChIInChI=1S/C15H26FN/c1-3-5-6-10-14-17(13-4-2)15(16)11-8-7-9-12-15/h7-9,11H,3-6,10,12-14H2,1-2H3
InChIKeyGLTVZJFOQAZRDP-UHFFFAOYSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine (CID 23123430) is 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine is CCCCCCN(CCC)C1(F)C=CC=CC1.
What is the InChIKey of 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is GLTVZJFOQAZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN/c1-3-5-6-10-14-17(13-4-2)15(16)11-8-7-9-12-15/h7-9,11H,3-6,10,12-14H2,1-2H3.
What are the key properties of 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine?
1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 239.38 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-hexyl-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23123430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).