2-amino-2-(dimethylamino)butanal

C6H14N2O — CID 87544276

IUPAC2-amino-2-(dimethylamino)butanal
SMILESCCC(N)(C=O)N(C)C
InChIInChI=1S/C6H14N2O/c1-4-6(7,5-9)8(2)3/h5H,4,7H2,1-3H3
InChIKeyISQMDCOKOOZNPP-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.19
Rot. Bonds3

About 2-amino-2-(dimethylamino)butanal

2-amino-2-(dimethylamino)butanal (PubChem CID 87544276) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-amino-2-(dimethylamino)butanal.

Molecular Properties

Compound Name2-amino-2-(dimethylamino)butanal
PubChem CID87544276
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-amino-2-(dimethylamino)butanal
SMILESCCC(N)(C=O)N(C)C
InChIInChI=1S/C6H14N2O/c1-4-6(7,5-9)8(2)3/h5H,4,7H2,1-3H3
InChIKeyISQMDCOKOOZNPP-UHFFFAOYSA-N
XLogP-0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(dimethylamino)butanal?
The IUPAC name of 2-amino-2-(dimethylamino)butanal (CID 87544276) is 2-amino-2-(dimethylamino)butanal.
What is the SMILES notation for 2-amino-2-(dimethylamino)butanal?
The canonical SMILES for 2-amino-2-(dimethylamino)butanal is CCC(N)(C=O)N(C)C.
What is the InChIKey of 2-amino-2-(dimethylamino)butanal?
The InChIKey is ISQMDCOKOOZNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-4-6(7,5-9)8(2)3/h5H,4,7H2,1-3H3.
What are the key properties of 2-amino-2-(dimethylamino)butanal?
2-amino-2-(dimethylamino)butanal has a molecular weight of 130.19 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(dimethylamino)butanal is sourced from PubChem (CID 87544276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).