2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine

C10H24N2O3 — CID 144981450

IUPAC2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine
SMILESCC(C)C(N)C=O.CNCC(OC)OC
InChIInChI=1S/C5H13NO2.C5H11NO/c1-6-4-5(7-2)8-3;1-4(2)5(6)3-7/h5-6H,4H2,1-3H3;3-5H,6H2,1-2H3
InChIKeyINYYBOLYRMGERD-UHFFFAOYSA-N
MW220.31 g/mol
LogP-0.01
Rot. Bonds6

About 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine

2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine (PubChem CID 144981450) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine.

Molecular Properties

Compound Name2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine
PubChem CID144981450
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine
SMILESCC(C)C(N)C=O.CNCC(OC)OC
InChIInChI=1S/C5H13NO2.C5H11NO/c1-6-4-5(7-2)8-3;1-4(2)5(6)3-7/h5-6H,4H2,1-3H3;3-5H,6H2,1-2H3
InChIKeyINYYBOLYRMGERD-UHFFFAOYSA-N
XLogP-0.01
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-methylbutanal;2,2-dimethoxy-N-methylethanamine?
The IUPAC name of 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine (CID 144981450) is 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine.
What is the SMILES notation for 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine?
The canonical SMILES for 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine is CC(C)C(N)C=O.CNCC(OC)OC.
What is the InChIKey of 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine?
The InChIKey is INYYBOLYRMGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2.C5H11NO/c1-6-4-5(7-2)8-3;1-4(2)5(6)3-7/h5-6H,4H2,1-3H3;3-5H,6H2,1-2H3.
What are the key properties of 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine?
2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine has a molecular weight of 220.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanal;2,2-dimethoxy-N-methylethanamine is sourced from PubChem (CID 144981450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).