6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine

C8H12N2O — CID 54361310

IUPAC6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine
SMILESCOC=C1CC=C(N)C=C1N
InChIInChI=1S/C8H12N2O/c1-11-5-6-2-3-7(9)4-8(6)10/h3-5H,2,9-10H2,1H3
InChIKeyUMRYXNKHSQHLIN-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.61
Rot. Bonds1

About 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine

6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine (PubChem CID 54361310) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine
PubChem CID54361310
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine
SMILESCOC=C1CC=C(N)C=C1N
InChIInChI=1S/C8H12N2O/c1-11-5-6-2-3-7(9)4-8(6)10/h3-5H,2,9-10H2,1H3
InChIKeyUMRYXNKHSQHLIN-UHFFFAOYSA-N
XLogP0.61
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine (CID 54361310) is 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine is COC=C1CC=C(N)C=C1N.
What is the InChIKey of 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine?
The InChIKey is UMRYXNKHSQHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-11-5-6-2-3-7(9)4-8(6)10/h3-5H,2,9-10H2,1H3.
What are the key properties of 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine?
6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 54361310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).