1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine

C9H15NO — CID 67160130

IUPAC1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine
SMILESCOCC(N)C1=CCCC=C1
InChIInChI=1S/C9H15NO/c1-11-7-9(10)8-5-3-2-4-6-8/h3,5-6,9H,2,4,7,10H2,1H3
InChIKeyDXNIIABYARISMI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.24
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine

1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine (PubChem CID 67160130) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine
PubChem CID67160130
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine
SMILESCOCC(N)C1=CCCC=C1
InChIInChI=1S/C9H15NO/c1-11-7-9(10)8-5-3-2-4-6-8/h3,5-6,9H,2,4,7,10H2,1H3
InChIKeyDXNIIABYARISMI-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine (CID 67160130) is 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine is COCC(N)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine?
The InChIKey is DXNIIABYARISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-11-7-9(10)8-5-3-2-4-6-8/h3,5-6,9H,2,4,7,10H2,1H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine?
1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine has a molecular weight of 153.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-methoxyethanamine is sourced from PubChem (CID 67160130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).