3,5-dimethyl-N,N-bis(prop-2-enyl)aniline

C14H19N — CID 11148358

IUPAC3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19N/c1-5-7-15(8-6-2)14-10-12(3)9-13(4)11-14/h5-6,9-11H,1-2,7-8H2,3-4H3
InChIKeyKFVDWFVRRRGLEA-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.48
Rot. Bonds5

About 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline

3,5-dimethyl-N,N-bis(prop-2-enyl)aniline (PubChem CID 11148358) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
PubChem CID11148358
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H19N/c1-5-7-15(8-6-2)14-10-12(3)9-13(4)11-14/h5-6,9-11H,1-2,7-8H2,3-4H3
InChIKeyKFVDWFVRRRGLEA-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
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 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline (CID 11148358) is 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1cc(C)cc(C)c1.
What is the InChIKey of 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
The InChIKey is KFVDWFVRRRGLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-5-7-15(8-6-2)14-10-12(3)9-13(4)11-14/h5-6,9-11H,1-2,7-8H2,3-4H3.
What are the key properties of 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline?
3,5-dimethyl-N,N-bis(prop-2-enyl)aniline has a molecular weight of 201.31 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 11148358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).