ethane;1-(methylamino)propan-2-one;2-methylpropanal

C10H23NO2 — CID 170710537

IUPACethane;1-(methylamino)propan-2-one;2-methylpropanal
SMILESCC.CC(C)C=O.CNCC(C)=O
InChIInChI=1S/C4H9NO.C4H8O.C2H6/c1-4(6)3-5-2;1-4(2)3-5;1-2/h5H,3H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyFNUQTFKBBVTJAE-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.66
Rot. Bonds3

About ethane;1-(methylamino)propan-2-one;2-methylpropanal

ethane;1-(methylamino)propan-2-one;2-methylpropanal (PubChem CID 170710537) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is ethane;1-(methylamino)propan-2-one;2-methylpropanal.

Molecular Properties

Compound Nameethane;1-(methylamino)propan-2-one;2-methylpropanal
PubChem CID170710537
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Nameethane;1-(methylamino)propan-2-one;2-methylpropanal
SMILESCC.CC(C)C=O.CNCC(C)=O
InChIInChI=1S/C4H9NO.C4H8O.C2H6/c1-4(6)3-5-2;1-4(2)3-5;1-2/h5H,3H2,1-2H3;3-4H,1-2H3;1-2H3
InChIKeyFNUQTFKBBVTJAE-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.66
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 ethane;1-(methylamino)propan-2-one;2-methylpropanal?
The IUPAC name of ethane;1-(methylamino)propan-2-one;2-methylpropanal (CID 170710537) is ethane;1-(methylamino)propan-2-one;2-methylpropanal.
What is the SMILES notation for ethane;1-(methylamino)propan-2-one;2-methylpropanal?
The canonical SMILES for ethane;1-(methylamino)propan-2-one;2-methylpropanal is CC.CC(C)C=O.CNCC(C)=O.
What is the InChIKey of ethane;1-(methylamino)propan-2-one;2-methylpropanal?
The InChIKey is FNUQTFKBBVTJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.C4H8O.C2H6/c1-4(6)3-5-2;1-4(2)3-5;1-2/h5H,3H2,1-2H3;3-4H,1-2H3;1-2H3.
What are the key properties of ethane;1-(methylamino)propan-2-one;2-methylpropanal?
ethane;1-(methylamino)propan-2-one;2-methylpropanal has a molecular weight of 189.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(methylamino)propan-2-one;2-methylpropanal is sourced from PubChem (CID 170710537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).