2,6-di(cyclobutyl)aniline

C14H19N — CID 172550384

IUPAC2,6-di(cyclobutyl)aniline
SMILESNc1c(C2CCC2)cccc1C1CCC1
InChIInChI=1S/C14H19N/c15-14-12(10-4-1-5-10)8-3-9-13(14)11-6-2-7-11/h3,8-11H,1-2,4-7,15H2
InChIKeyLKLZIPDZCYGGSQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.80
Rot. Bonds2

About 2,6-di(cyclobutyl)aniline

2,6-di(cyclobutyl)aniline (PubChem CID 172550384) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 2,6-di(cyclobutyl)aniline.

Molecular Properties

Compound Name2,6-di(cyclobutyl)aniline
PubChem CID172550384
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name2,6-di(cyclobutyl)aniline
SMILESNc1c(C2CCC2)cccc1C1CCC1
InChIInChI=1S/C14H19N/c15-14-12(10-4-1-5-10)8-3-9-13(14)11-6-2-7-11/h3,8-11H,1-2,4-7,15H2
InChIKeyLKLZIPDZCYGGSQ-UHFFFAOYSA-N
XLogP3.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-di(cyclobutyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-di(cycloheptyl)aniline
CID 156891849
2,6-dicyclopropylaniline
CID 129249080
2-cyclobutyl-6-methylsulfonylaniline
CID 156805851
2-butyl-6-cyclobutylaniline
CID 172550525
2,6-di(cyclobutyl)phenol
CID 57426118
2-bromo-6-cyclopropylaniline
CID 155970280
2-fluoro-6-[(1S,3S)-3-methylcyclohexyl]aniline
CID 125449309
2-amino-3-piperidin-4-ylphenol
CID 117103764
2-(2-cyclobutylphenyl)cyclobutan-1-amine
CID 114607226
5-chloro-2-cyclobutylaniline
CID 68784096
2-amino-6-cyclohexylbenzonitrile
CID 129240388
2-cyclopropyl-6-ethylsulfanylaniline
CID 142320158

Frequently Asked Questions

What is the IUPAC name of 2,6-di(cyclobutyl)aniline?
The IUPAC name of 2,6-di(cyclobutyl)aniline (CID 172550384) is 2,6-di(cyclobutyl)aniline.
What is the SMILES notation for 2,6-di(cyclobutyl)aniline?
The canonical SMILES for 2,6-di(cyclobutyl)aniline is Nc1c(C2CCC2)cccc1C1CCC1.
What is the InChIKey of 2,6-di(cyclobutyl)aniline?
The InChIKey is LKLZIPDZCYGGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c15-14-12(10-4-1-5-10)8-3-9-13(14)11-6-2-7-11/h3,8-11H,1-2,4-7,15H2.
What are the key properties of 2,6-di(cyclobutyl)aniline?
2,6-di(cyclobutyl)aniline has a molecular weight of 201.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(cyclobutyl)aniline is sourced from PubChem (CID 172550384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).