N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline

C21H23N — CID 143269245

IUPACN-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline
SMILESCCCC1=CC=C(N(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C21H23N/c1-3-10-18-15-16-21(17(18)2)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-17H,3,10H2,1-2H3
InChIKeyGQBJNRGXNODASX-UHFFFAOYSA-N
MW289.42 g/mol
LogP6.08
Rot. Bonds5

About N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline

N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline (PubChem CID 143269245) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline
PubChem CID143269245
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC NameN-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline
SMILESCCCC1=CC=C(N(c2ccccc2)c2ccccc2)C1C
InChIInChI=1S/C21H23N/c1-3-10-18-15-16-21(17(18)2)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-17H,3,10H2,1-2H3
InChIKeyGQBJNRGXNODASX-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline?
The IUPAC name of N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline (CID 143269245) is N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline.
What is the SMILES notation for N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline?
The canonical SMILES for N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline is CCCC1=CC=C(N(c2ccccc2)c2ccccc2)C1C.
What is the InChIKey of N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline?
The InChIKey is GQBJNRGXNODASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-3-10-18-15-16-21(17(18)2)22(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-17H,3,10H2,1-2H3.
What are the key properties of N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline?
N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline has a molecular weight of 289.42 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-propylcyclopenta-1,3-dien-1-yl)-N-phenylaniline is sourced from PubChem (CID 143269245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).