N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline

C21H27N — CID 166943361

IUPACN-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline
SMILESCC1C=C(N(c2ccccc2)C2C=CC=CC2C)C(C)CC1
InChIInChI=1S/C21H27N/c1-16-13-14-18(3)21(15-16)22(19-10-5-4-6-11-19)20-12-8-7-9-17(20)2/h4-12,15-18,20H,13-14H2,1-3H3
InChIKeyGPTRXIPRGPHDER-UHFFFAOYSA-N
MW293.45 g/mol
LogP5.57
Rot. Bonds3

About N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline

N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 166943361) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound NameN-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID166943361
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline
SMILESCC1C=C(N(c2ccccc2)C2C=CC=CC2C)C(C)CC1
InChIInChI=1S/C21H27N/c1-16-13-14-18(3)21(15-16)22(19-10-5-4-6-11-19)20-12-8-7-9-17(20)2/h4-12,15-18,20H,13-14H2,1-3H3
InChIKeyGPTRXIPRGPHDER-UHFFFAOYSA-N
XLogP5.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline (CID 166943361) is N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline is CC1C=C(N(c2ccccc2)C2C=CC=CC2C)C(C)CC1.
What is the InChIKey of N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is GPTRXIPRGPHDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N/c1-16-13-14-18(3)21(15-16)22(19-10-5-4-6-11-19)20-12-8-7-9-17(20)2/h4-12,15-18,20H,13-14H2,1-3H3.
What are the key properties of N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline?
N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 293.45 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylcyclohexen-1-yl)-N-(6-methylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 166943361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).