3,5-dimethyl-1,3-diazinane-1-carbaldehyde

C7H14N2O — CID 171516539

IUPAC3,5-dimethyl-1,3-diazinane-1-carbaldehyde
SMILESCC1CN(C)CN(C=O)C1
InChIInChI=1S/C7H14N2O/c1-7-3-8(2)5-9(4-7)6-10/h6-7H,3-5H2,1-2H3
InChIKeyFAJAGIRZYVOTHG-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.02
Rot. Bonds1

About 3,5-dimethyl-1,3-diazinane-1-carbaldehyde

3,5-dimethyl-1,3-diazinane-1-carbaldehyde (PubChem CID 171516539) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3,5-dimethyl-1,3-diazinane-1-carbaldehyde.

Molecular Properties

Compound Name3,5-dimethyl-1,3-diazinane-1-carbaldehyde
PubChem CID171516539
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3,5-dimethyl-1,3-diazinane-1-carbaldehyde
SMILESCC1CN(C)CN(C=O)C1
InChIInChI=1S/C7H14N2O/c1-7-3-8(2)5-9(4-7)6-10/h6-7H,3-5H2,1-2H3
InChIKeyFAJAGIRZYVOTHG-UHFFFAOYSA-N
XLogP-0.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1,3-diazinane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5,7,9-pentamethyl-1,3,7-triazecane
CID 154027656
3,4,5-trimethylpiperidine-1-carbaldehyde
CID 143533712
CID 143964193
CID 143964193
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
CID 154158068
3-methyl-6-propan-2-ylazepane-1-carbaldehyde
CID 174874844
bis(1,3-dimethylazetidine);3-methyloxetane
CID 158498308
3-bromo-1,5-dimethylpiperidine
CID 130961485
1,3,4-trimethylimidazolidine
CID 13109377
3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
(3R)-1,3-dimethylpyrrolidine
CID 58412242
1,4-dimethylpyrrolidine-3-carbaldehyde
CID 18713546

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,3-diazinane-1-carbaldehyde?
The IUPAC name of 3,5-dimethyl-1,3-diazinane-1-carbaldehyde (CID 171516539) is 3,5-dimethyl-1,3-diazinane-1-carbaldehyde.
What is the SMILES notation for 3,5-dimethyl-1,3-diazinane-1-carbaldehyde?
The canonical SMILES for 3,5-dimethyl-1,3-diazinane-1-carbaldehyde is CC1CN(C)CN(C=O)C1.
What is the InChIKey of 3,5-dimethyl-1,3-diazinane-1-carbaldehyde?
The InChIKey is FAJAGIRZYVOTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7-3-8(2)5-9(4-7)6-10/h6-7H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethyl-1,3-diazinane-1-carbaldehyde?
3,5-dimethyl-1,3-diazinane-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1,3-diazinane-1-carbaldehyde is sourced from PubChem (CID 171516539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).