2-amino-4-(dimethylamino)butanal

C6H14N2O — CID 54339931

IUPAC2-amino-4-(dimethylamino)butanal
SMILESCN(C)CCC(N)C=O
InChIInChI=1S/C6H14N2O/c1-8(2)4-3-6(7)5-9/h5-6H,3-4,7H2,1-2H3
InChIKeyTYEXAEZSJWZYKY-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.54
Rot. Bonds4

About 2-amino-4-(dimethylamino)butanal

2-amino-4-(dimethylamino)butanal (PubChem CID 54339931) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-amino-4-(dimethylamino)butanal.

Molecular Properties

Compound Name2-amino-4-(dimethylamino)butanal
PubChem CID54339931
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name2-amino-4-(dimethylamino)butanal
SMILESCN(C)CCC(N)C=O
InChIInChI=1S/C6H14N2O/c1-8(2)4-3-6(7)5-9/h5-6H,3-4,7H2,1-2H3
InChIKeyTYEXAEZSJWZYKY-UHFFFAOYSA-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 2-amino-4-(dimethylamino)butanal?
The IUPAC name of 2-amino-4-(dimethylamino)butanal (CID 54339931) is 2-amino-4-(dimethylamino)butanal.
What is the SMILES notation for 2-amino-4-(dimethylamino)butanal?
The canonical SMILES for 2-amino-4-(dimethylamino)butanal is CN(C)CCC(N)C=O.
What is the InChIKey of 2-amino-4-(dimethylamino)butanal?
The InChIKey is TYEXAEZSJWZYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-8(2)4-3-6(7)5-9/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 2-amino-4-(dimethylamino)butanal?
2-amino-4-(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 2-amino-4-(dimethylamino)butanal is sourced from PubChem (CID 54339931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).