2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine

C12H19NO — CID 143070406

IUPAC2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOC1=CC=CC=CC1
InChIInChI=1S/C12H19NO/c1-3-13(2)10-11-14-12-8-6-4-5-7-9-12/h4-8H,3,9-11H2,1-2H3
InChIKeyQCEKCDBWYSEVNR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.35
Rot. Bonds5

About 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine

2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine (PubChem CID 143070406) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine
PubChem CID143070406
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine
SMILESCCN(C)CCOC1=CC=CC=CC1
InChIInChI=1S/C12H19NO/c1-3-13(2)10-11-14-12-8-6-4-5-7-9-12/h4-8H,3,9-11H2,1-2H3
InChIKeyQCEKCDBWYSEVNR-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine?
The IUPAC name of 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine (CID 143070406) is 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine.
What is the SMILES notation for 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine?
The canonical SMILES for 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine is CCN(C)CCOC1=CC=CC=CC1.
What is the InChIKey of 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine?
The InChIKey is QCEKCDBWYSEVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13(2)10-11-14-12-8-6-4-5-7-9-12/h4-8H,3,9-11H2,1-2H3.
What are the key properties of 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine?
2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-1,3,5-trien-1-yloxy-N-ethyl-N-methylethanamine is sourced from PubChem (CID 143070406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).