4-ethenyl-N,N-diethylaniline

C12H17N — CID 6429430

IUPAC4-ethenyl-N,N-diethylaniline
SMILESC=Cc1ccc(N(CC)CC)cc1
InChIInChI=1S/C12H17N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3
InChIKeyCBZMQWPBAUBAPO-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.18
Rot. Bonds4

About 4-ethenyl-N,N-diethylaniline

4-ethenyl-N,N-diethylaniline (PubChem CID 6429430) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-ethenyl-N,N-diethylaniline.

Molecular Properties

Compound Name4-ethenyl-N,N-diethylaniline
PubChem CID6429430
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-ethenyl-N,N-diethylaniline
SMILESC=Cc1ccc(N(CC)CC)cc1
InChIInChI=1S/C12H17N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3
InChIKeyCBZMQWPBAUBAPO-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-diethylaniline?
The IUPAC name of 4-ethenyl-N,N-diethylaniline (CID 6429430) is 4-ethenyl-N,N-diethylaniline.
What is the SMILES notation for 4-ethenyl-N,N-diethylaniline?
The canonical SMILES for 4-ethenyl-N,N-diethylaniline is C=Cc1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-ethenyl-N,N-diethylaniline?
The InChIKey is CBZMQWPBAUBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-4-11-7-9-12(10-8-11)13(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3.
What are the key properties of 4-ethenyl-N,N-diethylaniline?
4-ethenyl-N,N-diethylaniline has a molecular weight of 175.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-diethylaniline is sourced from PubChem (CID 6429430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).