N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline

C20H21N — CID 175242222

IUPACN-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline
SMILESCC=C1C=CC=CC1Nc1ccccc1C1=C(C)C=CC1
InChIInChI=1S/C20H21N/c1-3-16-10-4-6-13-19(16)21-20-14-7-5-11-18(20)17-12-8-9-15(17)2/h3-11,13-14,19,21H,12H2,1-2H3
InChIKeyDGNUPOPBYNUGSR-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.27
Rot. Bonds3

About N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline

N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline (PubChem CID 175242222) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline.

Molecular Properties

Compound NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline
PubChem CID175242222
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC NameN-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline
SMILESCC=C1C=CC=CC1Nc1ccccc1C1=C(C)C=CC1
InChIInChI=1S/C20H21N/c1-3-16-10-4-6-13-19(16)21-20-14-7-5-11-18(20)17-12-8-9-15(17)2/h3-11,13-14,19,21H,12H2,1-2H3
InChIKeyDGNUPOPBYNUGSR-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline?
The IUPAC name of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline (CID 175242222) is N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline.
What is the SMILES notation for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline?
The canonical SMILES for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline is CC=C1C=CC=CC1Nc1ccccc1C1=C(C)C=CC1.
What is the InChIKey of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline?
The InChIKey is DGNUPOPBYNUGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-3-16-10-4-6-13-19(16)21-20-14-7-5-11-18(20)17-12-8-9-15(17)2/h3-11,13-14,19,21H,12H2,1-2H3.
What are the key properties of N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline?
N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline has a molecular weight of 275.40 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylidenecyclohexa-2,4-dien-1-yl)-2-(2-methylcyclopenta-1,3-dien-1-yl)aniline is sourced from PubChem (CID 175242222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).