3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal

C10H23NO2 — CID 176694902

IUPAC3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal
SMILESCC(C)C=O.CNC(C)(C)CCO
InChIInChI=1S/C6H15NO.C4H8O/c1-6(2,7-3)4-5-8;1-4(2)3-5/h7-8H,4-5H2,1-3H3;3-4H,1-2H3
InChIKeyLFVFEWKBUULPDE-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.21
Rot. Bonds4

About 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal

3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal (PubChem CID 176694902) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal.

Molecular Properties

Compound Name3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal
PubChem CID176694902
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal
SMILESCC(C)C=O.CNC(C)(C)CCO
InChIInChI=1S/C6H15NO.C4H8O/c1-6(2,7-3)4-5-8;1-4(2)3-5/h7-8H,4-5H2,1-3H3;3-4H,1-2H3
InChIKeyLFVFEWKBUULPDE-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
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 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal?
The IUPAC name of 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal (CID 176694902) is 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal.
What is the SMILES notation for 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal?
The canonical SMILES for 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal is CC(C)C=O.CNC(C)(C)CCO.
What is the InChIKey of 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal?
The InChIKey is LFVFEWKBUULPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C4H8O/c1-6(2,7-3)4-5-8;1-4(2)3-5/h7-8H,4-5H2,1-3H3;3-4H,1-2H3.
What are the key properties of 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal?
3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal has a molecular weight of 189.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(methylamino)butan-1-ol;2-methylpropanal is sourced from PubChem (CID 176694902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).