6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine

C8H14N2O — CID 89209439

IUPAC6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1OCN
InChIInChI=1S/C8H14N2O/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5,7-8,10H,6,9H2,1H3
InChIKeyVDZCLMWJBRBSRS-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.00
Rot. Bonds3

About 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine

6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 89209439) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID89209439
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine
SMILESCNC1C=CC=CC1OCN
InChIInChI=1S/C8H14N2O/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5,7-8,10H,6,9H2,1H3
InChIKeyVDZCLMWJBRBSRS-UHFFFAOYSA-N
XLogP0.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine (CID 89209439) is 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine is CNC1C=CC=CC1OCN.
What is the InChIKey of 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is VDZCLMWJBRBSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-7-4-2-3-5-8(7)11-6-9/h2-5,7-8,10H,6,9H2,1H3.
What are the key properties of 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine?
6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 154.21 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethoxy)-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89209439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).