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

C7H15NO — CID 22016555

IUPAC3,3-dimethyl-2-(methylamino)butanal
SMILESCNC(C=O)C(C)(C)C
InChIInChI=1S/C7H15NO/c1-7(2,3)6(5-9)8-4/h5-6,8H,1-4H3
InChIKeyGZZRIGWICQPRIB-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.82
Rot. Bonds2

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

3,3-dimethyl-2-(methylamino)butanal (PubChem CID 22016555) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3,3-dimethyl-2-(methylamino)butanal.

Molecular Properties

Compound Name3,3-dimethyl-2-(methylamino)butanal
PubChem CID22016555
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3,3-dimethyl-2-(methylamino)butanal
SMILESCNC(C=O)C(C)(C)C
InChIInChI=1S/C7H15NO/c1-7(2,3)6(5-9)8-4/h5-6,8H,1-4H3
InChIKeyGZZRIGWICQPRIB-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.82
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 3,3-dimethyl-2-(methylamino)butanal?
The IUPAC name of 3,3-dimethyl-2-(methylamino)butanal (CID 22016555) is 3,3-dimethyl-2-(methylamino)butanal.
What is the SMILES notation for 3,3-dimethyl-2-(methylamino)butanal?
The canonical SMILES for 3,3-dimethyl-2-(methylamino)butanal is CNC(C=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-(methylamino)butanal?
The InChIKey is GZZRIGWICQPRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)6(5-9)8-4/h5-6,8H,1-4H3.
What are the key properties of 3,3-dimethyl-2-(methylamino)butanal?
3,3-dimethyl-2-(methylamino)butanal has a molecular weight of 129.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(methylamino)butanal is sourced from PubChem (CID 22016555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).