2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline

C15H19N — CID 142702440

IUPAC2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline
SMILESCC1=CC(c2ccccc2N(C)C)C=C1C
InChIInChI=1S/C15H19N/c1-11-9-13(10-12(11)2)14-7-5-6-8-15(14)16(3)4/h5-10,13H,1-4H3
InChIKeyWQDUTRPFBRVIHY-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.74
Rot. Bonds2

About 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline

2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline (PubChem CID 142702440) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline
PubChem CID142702440
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline
SMILESCC1=CC(c2ccccc2N(C)C)C=C1C
InChIInChI=1S/C15H19N/c1-11-9-13(10-12(11)2)14-7-5-6-8-15(14)16(3)4/h5-10,13H,1-4H3
InChIKeyWQDUTRPFBRVIHY-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline (CID 142702440) is 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline is CC1=CC(c2ccccc2N(C)C)C=C1C.
What is the InChIKey of 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline?
The InChIKey is WQDUTRPFBRVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11-9-13(10-12(11)2)14-7-5-6-8-15(14)16(3)4/h5-10,13H,1-4H3.
What are the key properties of 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline?
2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline has a molecular weight of 213.32 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclopenta-2,4-dien-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 142702440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).