4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde

C10H16N2O — CID 175238315

IUPAC4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde
SMILESCNC1(C)C=CC(C=O)(NC)C=C1
InChIInChI=1S/C10H16N2O/c1-9(11-2)4-6-10(8-13,12-3)7-5-9/h4-8,11-12H,1-3H3
InChIKeyFFGTUXIKHQAXTQ-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.25
Rot. Bonds3

About 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde

4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde (PubChem CID 175238315) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde
PubChem CID175238315
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde
SMILESCNC1(C)C=CC(C=O)(NC)C=C1
InChIInChI=1S/C10H16N2O/c1-9(11-2)4-6-10(8-13,12-3)7-5-9/h4-8,11-12H,1-3H3
InChIKeyFFGTUXIKHQAXTQ-UHFFFAOYSA-N
XLogP0.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde?
The IUPAC name of 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde (CID 175238315) is 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde?
The canonical SMILES for 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde is CNC1(C)C=CC(C=O)(NC)C=C1.
What is the InChIKey of 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde?
The InChIKey is FFGTUXIKHQAXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-9(11-2)4-6-10(8-13,12-3)7-5-9/h4-8,11-12H,1-3H3.
What are the key properties of 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde?
4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-bis(methylamino)cyclohexa-2,5-diene-1-carbaldehyde is sourced from PubChem (CID 175238315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).