1,2,2,3-tetramethylimidazolidine-4-carbaldehyde

C8H16N2O — CID 174473687

IUPAC1,2,2,3-tetramethylimidazolidine-4-carbaldehyde
SMILESCN1CC(C=O)N(C)C1(C)C
InChIInChI=1S/C8H16N2O/c1-8(2)9(3)5-7(6-11)10(8)4/h6-7H,5H2,1-4H3
InChIKeyGUGKEWCSDLCTQS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.17
Rot. Bonds1

About 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde

1,2,2,3-tetramethylimidazolidine-4-carbaldehyde (PubChem CID 174473687) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name1,2,2,3-tetramethylimidazolidine-4-carbaldehyde
PubChem CID174473687
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1,2,2,3-tetramethylimidazolidine-4-carbaldehyde
SMILESCN1CC(C=O)N(C)C1(C)C
InChIInChI=1S/C8H16N2O/c1-8(2)9(3)5-7(6-11)10(8)4/h6-7H,5H2,1-4H3
InChIKeyGUGKEWCSDLCTQS-UHFFFAOYSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
CID 160729054
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 22971630
(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 57042631
4-(azetidin-3-yl)-1-methylpiperazine-2-carbaldehyde
CID 174732061
(1S,2S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214552
(2S,5S)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214640
(3S)-1,2,2,3-tetramethylaziridine
CID 153012898
1,2,2-trimethylazetidine-3-carboxylic acid
CID 155290917
4-hydroxy-1-methylpyrrolidine-2-carbaldehyde;N-methylmethanamine
CID 143021831
1,2,2-trimethylazetidin-3-amine;hydroiodide
CID 175004019
3-iodo-1,2,2,3-tetramethylpiperidine-4-carbaldehyde
CID 174646268
3,5,5-trimethyloxolane-2-carbaldehyde
CID 20674729

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde?
The IUPAC name of 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde (CID 174473687) is 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde.
What is the SMILES notation for 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde?
The canonical SMILES for 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde is CN1CC(C=O)N(C)C1(C)C.
What is the InChIKey of 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde?
The InChIKey is GUGKEWCSDLCTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2)9(3)5-7(6-11)10(8)4/h6-7H,5H2,1-4H3.
What are the key properties of 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde?
1,2,2,3-tetramethylimidazolidine-4-carbaldehyde has a molecular weight of 156.23 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3-tetramethylimidazolidine-4-carbaldehyde is sourced from PubChem (CID 174473687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).