3-cyclobutyl-N-prop-2-enylaniline

C13H17N — CID 130609398

IUPAC3-cyclobutyl-N-prop-2-enylaniline
SMILESC=CCNc1cccc(C2CCC2)c1
InChIInChI=1S/C13H17N/c1-2-9-14-13-8-4-7-12(10-13)11-5-3-6-11/h2,4,7-8,10-11,14H,1,3,5-6,9H2
InChIKeyZFQSDRJMDDVCME-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.55
Rot. Bonds4

About 3-cyclobutyl-N-prop-2-enylaniline

3-cyclobutyl-N-prop-2-enylaniline (PubChem CID 130609398) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-cyclobutyl-N-prop-2-enylaniline.

Molecular Properties

Compound Name3-cyclobutyl-N-prop-2-enylaniline
PubChem CID130609398
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-cyclobutyl-N-prop-2-enylaniline
SMILESC=CCNc1cccc(C2CCC2)c1
InChIInChI=1S/C13H17N/c1-2-9-14-13-8-4-7-12(10-13)11-5-3-6-11/h2,4,7-8,10-11,14H,1,3,5-6,9H2
InChIKeyZFQSDRJMDDVCME-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-prop-2-enylaniline?
The IUPAC name of 3-cyclobutyl-N-prop-2-enylaniline (CID 130609398) is 3-cyclobutyl-N-prop-2-enylaniline.
What is the SMILES notation for 3-cyclobutyl-N-prop-2-enylaniline?
The canonical SMILES for 3-cyclobutyl-N-prop-2-enylaniline is C=CCNc1cccc(C2CCC2)c1.
What is the InChIKey of 3-cyclobutyl-N-prop-2-enylaniline?
The InChIKey is ZFQSDRJMDDVCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-9-14-13-8-4-7-12(10-13)11-5-3-6-11/h2,4,7-8,10-11,14H,1,3,5-6,9H2.
What are the key properties of 3-cyclobutyl-N-prop-2-enylaniline?
3-cyclobutyl-N-prop-2-enylaniline has a molecular weight of 187.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-prop-2-enylaniline is sourced from PubChem (CID 130609398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).