2,2-dimethyl-3-(methylamino)propanal

C6H13NO — CID 15555432

IUPAC2,2-dimethyl-3-(methylamino)propanal
SMILESCNCC(C)(C)C=O
InChIInChI=1S/C6H13NO/c1-6(2,5-8)4-7-3/h5,7H,4H2,1-3H3
InChIKeyITRWKPWUXCSBTI-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.43
Rot. Bonds3

About 2,2-dimethyl-3-(methylamino)propanal

2,2-dimethyl-3-(methylamino)propanal (PubChem CID 15555432) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)propanal.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)propanal
PubChem CID15555432
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,2-dimethyl-3-(methylamino)propanal
SMILESCNCC(C)(C)C=O
InChIInChI=1S/C6H13NO/c1-6(2,5-8)4-7-3/h5,7H,4H2,1-3H3
InChIKeyITRWKPWUXCSBTI-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)propanal?
The IUPAC name of 2,2-dimethyl-3-(methylamino)propanal (CID 15555432) is 2,2-dimethyl-3-(methylamino)propanal.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)propanal?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)propanal is CNCC(C)(C)C=O.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)propanal?
The InChIKey is ITRWKPWUXCSBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(2,5-8)4-7-3/h5,7H,4H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(methylamino)propanal?
2,2-dimethyl-3-(methylamino)propanal has a molecular weight of 115.18 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)propanal is sourced from PubChem (CID 15555432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).