N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine

C20H27N — CID 123346633

IUPACN-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(C)(N(C2=CCCCC2)C2C=CC=CC2)C=C1
InChIInChI=1S/C20H27N/c1-17-13-15-20(2,16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9,11,13-15,18H,4,7-8,10,12,16H2,1-2H3
InChIKeyKBVJEMYLHMMTNT-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.30
Rot. Bonds3

About N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine

N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 123346633) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID123346633
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CCC(C)(N(C2=CCCCC2)C2C=CC=CC2)C=C1
InChIInChI=1S/C20H27N/c1-17-13-15-20(2,16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9,11,13-15,18H,4,7-8,10,12,16H2,1-2H3
InChIKeyKBVJEMYLHMMTNT-UHFFFAOYSA-N
XLogP5.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine (CID 123346633) is N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine is CC1=CCC(C)(N(C2=CCCCC2)C2C=CC=CC2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is KBVJEMYLHMMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-17-13-15-20(2,16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9,11,13-15,18H,4,7-8,10,12,16H2,1-2H3.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine?
N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 281.44 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-(cyclohexen-1-yl)-1,4-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123346633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).