3-cyclobutylaniline

C10H13N — CID 66521271

IUPAC3-cyclobutylaniline
SMILESNc1cccc(C2CCC2)c1
InChIInChI=1S/C10H13N/c11-10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4,11H2
InChIKeyCJJBVKSLLOQPKD-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.54
Rot. Bonds1

About 3-cyclobutylaniline

3-cyclobutylaniline (PubChem CID 66521271) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 3-cyclobutylaniline.

Molecular Properties

Compound Name3-cyclobutylaniline
PubChem CID66521271
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name3-cyclobutylaniline
SMILESNc1cccc(C2CCC2)c1
InChIInChI=1S/C10H13N/c11-10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4,11H2
InChIKeyCJJBVKSLLOQPKD-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.54
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 3-cyclobutylaniline?
The IUPAC name of 3-cyclobutylaniline (CID 66521271) is 3-cyclobutylaniline.
What is the SMILES notation for 3-cyclobutylaniline?
The canonical SMILES for 3-cyclobutylaniline is Nc1cccc(C2CCC2)c1.
What is the InChIKey of 3-cyclobutylaniline?
The InChIKey is CJJBVKSLLOQPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c11-10-6-2-5-9(7-10)8-3-1-4-8/h2,5-8H,1,3-4,11H2.
What are the key properties of 3-cyclobutylaniline?
3-cyclobutylaniline has a molecular weight of 147.22 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutylaniline is sourced from PubChem (CID 66521271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).