6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine

C9H15N3O2 — CID 134239293

IUPAC6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine
SMILES[H]/N=N/C1CC(OC)=CC=C1NCOC
InChIInChI=1S/C9H15N3O2/c1-13-6-11-8-4-3-7(14-2)5-9(8)12-10/h3-4,9-11H,5-6H2,1-2H3/b12-10+
InChIKeyYVQRZBNLCUYMCR-ZRDIBKRKSA-N
MW197.24 g/mol
LogP1.40
Rot. Bonds5

About 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine

6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine (PubChem CID 134239293) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine
PubChem CID134239293
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine
SMILES[H]/N=N/C1CC(OC)=CC=C1NCOC
InChIInChI=1S/C9H15N3O2/c1-13-6-11-8-4-3-7(14-2)5-9(8)12-10/h3-4,9-11H,5-6H2,1-2H3/b12-10+
InChIKeyYVQRZBNLCUYMCR-ZRDIBKRKSA-N
XLogP1.40
TPSA66.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine (CID 134239293) is 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine is [H]/N=N/C1CC(OC)=CC=C1NCOC.
What is the InChIKey of 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is YVQRZBNLCUYMCR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-6-11-8-4-3-7(14-2)5-9(8)12-10/h3-4,9-11H,5-6H2,1-2H3/b12-10+.
What are the key properties of 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine?
6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 197.24 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazenyl-4-methoxy-N-(methoxymethyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 134239293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).