1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone

C17H27NO — CID 138509765

IUPAC1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone
SMILESCC1=CC=CC(C)C1C(=O)CNC1CCCCC1C
InChIInChI=1S/C17H27NO/c1-12-7-4-5-10-15(12)18-11-16(19)17-13(2)8-6-9-14(17)3/h6,8-9,12-13,15,17-18H,4-5,7,10-11H2,1-3H3
InChIKeyZXXBUFKVXNJUQD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone

1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone (PubChem CID 138509765) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone
PubChem CID138509765
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone
SMILESCC1=CC=CC(C)C1C(=O)CNC1CCCCC1C
InChIInChI=1S/C17H27NO/c1-12-7-4-5-10-15(12)18-11-16(19)17-13(2)8-6-9-14(17)3/h6,8-9,12-13,15,17-18H,4-5,7,10-11H2,1-3H3
InChIKeyZXXBUFKVXNJUQD-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone (CID 138509765) is 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone is CC1=CC=CC(C)C1C(=O)CNC1CCCCC1C.
What is the InChIKey of 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone?
The InChIKey is ZXXBUFKVXNJUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-7-4-5-10-15(12)18-11-16(19)17-13(2)8-6-9-14(17)3/h6,8-9,12-13,15,17-18H,4-5,7,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone?
1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone has a molecular weight of 261.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexa-2,4-dien-1-yl)-2-[(2-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 138509765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).