(2S)-4-amino-2-(dimethylamino)butanal

C6H14N2O — CID 123758443

IUPAC(2S)-4-amino-2-(dimethylamino)butanal
SMILESCN(C)[C@H](C=O)CCN
InChIInChI=1S/C6H14N2O/c1-8(2)6(5-9)3-4-7/h5-6H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKeyGILAKKNELDMYHS-LURJTMIESA-N
MW130.19 g/mol
LogP-0.54
Rot. Bonds4

About (2S)-4-amino-2-(dimethylamino)butanal

(2S)-4-amino-2-(dimethylamino)butanal (PubChem CID 123758443) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S)-4-amino-2-(dimethylamino)butanal.

Molecular Properties

Compound Name(2S)-4-amino-2-(dimethylamino)butanal
PubChem CID123758443
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(2S)-4-amino-2-(dimethylamino)butanal
SMILESCN(C)[C@H](C=O)CCN
InChIInChI=1S/C6H14N2O/c1-8(2)6(5-9)3-4-7/h5-6H,3-4,7H2,1-2H3/t6-/m0/s1
InChIKeyGILAKKNELDMYHS-LURJTMIESA-N
XLogP-0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-(dimethylamino)butanal?
The IUPAC name of (2S)-4-amino-2-(dimethylamino)butanal (CID 123758443) is (2S)-4-amino-2-(dimethylamino)butanal.
What is the SMILES notation for (2S)-4-amino-2-(dimethylamino)butanal?
The canonical SMILES for (2S)-4-amino-2-(dimethylamino)butanal is CN(C)[C@H](C=O)CCN.
What is the InChIKey of (2S)-4-amino-2-(dimethylamino)butanal?
The InChIKey is GILAKKNELDMYHS-LURJTMIESA-N. The full InChI is InChI=1S/C6H14N2O/c1-8(2)6(5-9)3-4-7/h5-6H,3-4,7H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-(dimethylamino)butanal?
(2S)-4-amino-2-(dimethylamino)butanal has a molecular weight of 130.19 g/mol, XLogP of -0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-(dimethylamino)butanal is sourced from PubChem (CID 123758443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).