2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline

C14H15N — CID 143292973

IUPAC2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline
SMILESCNc1ccccc1C1=CC=CC=CC1
InChIInChI=1S/C14H15N/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-8,10-11,15H,9H2,1H3
InChIKeyGRTXAIHMSVUQHJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP3.63
Rot. Bonds2

About 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline

2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline (PubChem CID 143292973) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline.

Molecular Properties

Compound Name2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline
PubChem CID143292973
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline
SMILESCNc1ccccc1C1=CC=CC=CC1
InChIInChI=1S/C14H15N/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-8,10-11,15H,9H2,1H3
InChIKeyGRTXAIHMSVUQHJ-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline?
The IUPAC name of 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline (CID 143292973) is 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline.
What is the SMILES notation for 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline?
The canonical SMILES for 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline is CNc1ccccc1C1=CC=CC=CC1.
What is the InChIKey of 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline?
The InChIKey is GRTXAIHMSVUQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-15-14-11-7-6-10-13(14)12-8-4-2-3-5-9-12/h2-8,10-11,15H,9H2,1H3.
What are the key properties of 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline?
2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline has a molecular weight of 197.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,5-trien-1-yl-N-methylaniline is sourced from PubChem (CID 143292973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).