4-ethenyl-N,N-dipropylaniline

C14H21N — CID 18400396

IUPAC4-ethenyl-N,N-dipropylaniline
SMILESC=Cc1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C14H21N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKeyNHDPXEYMQKJJSB-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.96
Rot. Bonds6

About 4-ethenyl-N,N-dipropylaniline

4-ethenyl-N,N-dipropylaniline (PubChem CID 18400396) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-ethenyl-N,N-dipropylaniline.

Molecular Properties

Compound Name4-ethenyl-N,N-dipropylaniline
PubChem CID18400396
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-ethenyl-N,N-dipropylaniline
SMILESC=Cc1ccc(N(CCC)CCC)cc1
InChIInChI=1S/C14H21N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h6-10H,3-5,11-12H2,1-2H3
InChIKeyNHDPXEYMQKJJSB-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.96
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-dipropylaniline?
The IUPAC name of 4-ethenyl-N,N-dipropylaniline (CID 18400396) is 4-ethenyl-N,N-dipropylaniline.
What is the SMILES notation for 4-ethenyl-N,N-dipropylaniline?
The canonical SMILES for 4-ethenyl-N,N-dipropylaniline is C=Cc1ccc(N(CCC)CCC)cc1.
What is the InChIKey of 4-ethenyl-N,N-dipropylaniline?
The InChIKey is NHDPXEYMQKJJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-11-15(12-5-2)14-9-7-13(6-3)8-10-14/h6-10H,3-5,11-12H2,1-2H3.
What are the key properties of 4-ethenyl-N,N-dipropylaniline?
4-ethenyl-N,N-dipropylaniline has a molecular weight of 203.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-dipropylaniline is sourced from PubChem (CID 18400396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).