2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine

C15H21N — CID 70849453

IUPAC2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine
SMILESCNCC(C1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C15H21N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4,6,8,10-11,15-16H,3,5,7,9,12H2,1H3
InChIKeyUYYFQKJROVDOMN-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.37
Rot. Bonds4

About 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine

2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine (PubChem CID 70849453) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine
PubChem CID70849453
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine
SMILESCNCC(C1=CCCC=C1)C1=CC=CCC1
InChIInChI=1S/C15H21N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4,6,8,10-11,15-16H,3,5,7,9,12H2,1H3
InChIKeyUYYFQKJROVDOMN-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The IUPAC name of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine (CID 70849453) is 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine is CNCC(C1=CCCC=C1)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
The InChIKey is UYYFQKJROVDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-16-12-15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2,4,6,8,10-11,15-16H,3,5,7,9,12H2,1H3.
What are the key properties of 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine?
2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine has a molecular weight of 215.34 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-yl-2-cyclohexa-1,5-dien-1-yl-N-methylethanamine is sourced from PubChem (CID 70849453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).