2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine

C9H15NO — CID 142560458

IUPAC2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine
SMILESCNCCOC1=CCCC=C1
InChIInChI=1S/C9H15NO/c1-10-7-8-11-9-5-3-2-4-6-9/h3,5-6,10H,2,4,7-8H2,1H3
InChIKeyLSXFZGFLFZPJJM-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.46
Rot. Bonds4

About 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine

2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine (PubChem CID 142560458) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine
PubChem CID142560458
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine
SMILESCNCCOC1=CCCC=C1
InChIInChI=1S/C9H15NO/c1-10-7-8-11-9-5-3-2-4-6-9/h3,5-6,10H,2,4,7-8H2,1H3
InChIKeyLSXFZGFLFZPJJM-UHFFFAOYSA-N
XLogP1.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine (CID 142560458) is 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine is CNCCOC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine?
The InChIKey is LSXFZGFLFZPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-8-11-9-5-3-2-4-6-9/h3,5-6,10H,2,4,7-8H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine?
2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yloxy-N-methylethanamine is sourced from PubChem (CID 142560458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).