N-hexa-4,5-dienyl-4-methylaniline

C13H17N — CID 138968734

IUPACN-hexa-4,5-dienyl-4-methylaniline
SMILESC=C=CCCCNc1ccc(C)cc1
InChIInChI=1S/C13H17N/c1-3-4-5-6-11-14-13-9-7-12(2)8-10-13/h4,7-10,14H,1,5-6,11H2,2H3
InChIKeyIJSBRDIHPXJODY-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.53
Rot. Bonds5

About N-hexa-4,5-dienyl-4-methylaniline

N-hexa-4,5-dienyl-4-methylaniline (PubChem CID 138968734) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-hexa-4,5-dienyl-4-methylaniline.

Molecular Properties

Compound NameN-hexa-4,5-dienyl-4-methylaniline
PubChem CID138968734
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-hexa-4,5-dienyl-4-methylaniline
SMILESC=C=CCCCNc1ccc(C)cc1
InChIInChI=1S/C13H17N/c1-3-4-5-6-11-14-13-9-7-12(2)8-10-13/h4,7-10,14H,1,5-6,11H2,2H3
InChIKeyIJSBRDIHPXJODY-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexa-4,5-dienyl-4-methylaniline?
The IUPAC name of N-hexa-4,5-dienyl-4-methylaniline (CID 138968734) is N-hexa-4,5-dienyl-4-methylaniline.
What is the SMILES notation for N-hexa-4,5-dienyl-4-methylaniline?
The canonical SMILES for N-hexa-4,5-dienyl-4-methylaniline is C=C=CCCCNc1ccc(C)cc1.
What is the InChIKey of N-hexa-4,5-dienyl-4-methylaniline?
The InChIKey is IJSBRDIHPXJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-4-5-6-11-14-13-9-7-12(2)8-10-13/h4,7-10,14H,1,5-6,11H2,2H3.
What are the key properties of N-hexa-4,5-dienyl-4-methylaniline?
N-hexa-4,5-dienyl-4-methylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexa-4,5-dienyl-4-methylaniline is sourced from PubChem (CID 138968734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).