2,5-di(cyclohexa-1,5-dien-1-yl)aniline

C18H19N — CID 170416463

IUPAC2,5-di(cyclohexa-1,5-dien-1-yl)aniline
SMILESNc1cc(C2=CCCC=C2)ccc1C1=CCCC=C1
InChIInChI=1S/C18H19N/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h3,5,7-13H,1-2,4,6,19H2
InChIKeyAOXQVMHJIACZOO-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.74
Rot. Bonds2

About 2,5-di(cyclohexa-1,5-dien-1-yl)aniline

2,5-di(cyclohexa-1,5-dien-1-yl)aniline (PubChem CID 170416463) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 2,5-di(cyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name2,5-di(cyclohexa-1,5-dien-1-yl)aniline
PubChem CID170416463
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name2,5-di(cyclohexa-1,5-dien-1-yl)aniline
SMILESNc1cc(C2=CCCC=C2)ccc1C1=CCCC=C1
InChIInChI=1S/C18H19N/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h3,5,7-13H,1-2,4,6,19H2
InChIKeyAOXQVMHJIACZOO-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(cyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 2,5-di(cyclohexa-1,5-dien-1-yl)aniline (CID 170416463) is 2,5-di(cyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 2,5-di(cyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 2,5-di(cyclohexa-1,5-dien-1-yl)aniline is Nc1cc(C2=CCCC=C2)ccc1C1=CCCC=C1.
What is the InChIKey of 2,5-di(cyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is AOXQVMHJIACZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c19-18-13-16(14-7-3-1-4-8-14)11-12-17(18)15-9-5-2-6-10-15/h3,5,7-13H,1-2,4,6,19H2.
What are the key properties of 2,5-di(cyclohexa-1,5-dien-1-yl)aniline?
2,5-di(cyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 249.36 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(cyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 170416463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).