decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene

C23H38F3N — CID 157091649

IUPACdecan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene
SMILESCCCC=CCc1ccc(C(F)(F)F)cc1.CCCCCCCCCCN
InChIInChI=1S/C13H15F3.C10H23N/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16;1-2-3-4-5-6-7-8-9-10-11/h4-5,7-10H,2-3,6H2,1H3;2-11H2,1H3
InChIKeyAESSPEQTFSNLMG-UHFFFAOYSA-N
MW385.56 g/mol
LogP7.69
Rot. Bonds12

About decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene

decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene (PubChem CID 157091649) has the molecular formula C23H38F3N and a molecular weight of 385.56 g/mol. Its IUPAC name is decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Namedecan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene
PubChem CID157091649
Molecular FormulaC23H38F3N
Molecular Weight385.56 g/mol
Exact Mass385.30
IUPAC Namedecan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene
SMILESCCCC=CCc1ccc(C(F)(F)F)cc1.CCCCCCCCCCN
InChIInChI=1S/C13H15F3.C10H23N/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16;1-2-3-4-5-6-7-8-9-10-11/h4-5,7-10H,2-3,6H2,1H3;2-11H2,1H3
InChIKeyAESSPEQTFSNLMG-UHFFFAOYSA-N
XLogP7.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene?
The IUPAC name of decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene (CID 157091649) is decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene?
The canonical SMILES for decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene is CCCC=CCc1ccc(C(F)(F)F)cc1.CCCCCCCCCCN.
What is the InChIKey of decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene?
The InChIKey is AESSPEQTFSNLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3.C10H23N/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14,15)16;1-2-3-4-5-6-7-8-9-10-11/h4-5,7-10H,2-3,6H2,1H3;2-11H2,1H3.
What are the key properties of decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene?
decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene has a molecular weight of 385.56 g/mol, XLogP of 7.69, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-1-amine;1-hex-2-enyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 157091649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).