4-cyclobutyl-N,N-dimethylaniline

C12H17N — CID 170179749

IUPAC4-cyclobutyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CCC2)cc1
InChIInChI=1S/C12H17N/c1-13(2)12-8-6-11(7-9-12)10-4-3-5-10/h6-10H,3-5H2,1-2H3
InChIKeyHPJGXCOLMSMHMP-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.02
Rot. Bonds2

About 4-cyclobutyl-N,N-dimethylaniline

4-cyclobutyl-N,N-dimethylaniline (PubChem CID 170179749) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-cyclobutyl-N,N-dimethylaniline.

Molecular Properties

Compound Name4-cyclobutyl-N,N-dimethylaniline
PubChem CID170179749
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-cyclobutyl-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2CCC2)cc1
InChIInChI=1S/C12H17N/c1-13(2)12-8-6-11(7-9-12)10-4-3-5-10/h6-10H,3-5H2,1-2H3
InChIKeyHPJGXCOLMSMHMP-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N,N-dimethylaniline?
The IUPAC name of 4-cyclobutyl-N,N-dimethylaniline (CID 170179749) is 4-cyclobutyl-N,N-dimethylaniline.
What is the SMILES notation for 4-cyclobutyl-N,N-dimethylaniline?
The canonical SMILES for 4-cyclobutyl-N,N-dimethylaniline is CN(C)c1ccc(C2CCC2)cc1.
What is the InChIKey of 4-cyclobutyl-N,N-dimethylaniline?
The InChIKey is HPJGXCOLMSMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-13(2)12-8-6-11(7-9-12)10-4-3-5-10/h6-10H,3-5H2,1-2H3.
What are the key properties of 4-cyclobutyl-N,N-dimethylaniline?
4-cyclobutyl-N,N-dimethylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N,N-dimethylaniline is sourced from PubChem (CID 170179749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).