1-ethoxy-7-(methylamino)heptan-2-one;methane

C11H25NO2 — CID 158194061

IUPAC1-ethoxy-7-(methylamino)heptan-2-one;methane
SMILESC.CCOCC(=O)CCCCCNC
InChIInChI=1S/C10H21NO2.CH4/c1-3-13-9-10(12)7-5-4-6-8-11-2;/h11H,3-9H2,1-2H3;1H4
InChIKeyGACVXLZMNKCXKH-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.01
Rot. Bonds9

About 1-ethoxy-7-(methylamino)heptan-2-one;methane

1-ethoxy-7-(methylamino)heptan-2-one;methane (PubChem CID 158194061) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-ethoxy-7-(methylamino)heptan-2-one;methane.

Molecular Properties

Compound Name1-ethoxy-7-(methylamino)heptan-2-one;methane
PubChem CID158194061
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name1-ethoxy-7-(methylamino)heptan-2-one;methane
SMILESC.CCOCC(=O)CCCCCNC
InChIInChI=1S/C10H21NO2.CH4/c1-3-13-9-10(12)7-5-4-6-8-11-2;/h11H,3-9H2,1-2H3;1H4
InChIKeyGACVXLZMNKCXKH-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-7-(methylamino)heptan-2-one;methane?
The IUPAC name of 1-ethoxy-7-(methylamino)heptan-2-one;methane (CID 158194061) is 1-ethoxy-7-(methylamino)heptan-2-one;methane.
What is the SMILES notation for 1-ethoxy-7-(methylamino)heptan-2-one;methane?
The canonical SMILES for 1-ethoxy-7-(methylamino)heptan-2-one;methane is C.CCOCC(=O)CCCCCNC.
What is the InChIKey of 1-ethoxy-7-(methylamino)heptan-2-one;methane?
The InChIKey is GACVXLZMNKCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.CH4/c1-3-13-9-10(12)7-5-4-6-8-11-2;/h11H,3-9H2,1-2H3;1H4.
What are the key properties of 1-ethoxy-7-(methylamino)heptan-2-one;methane?
1-ethoxy-7-(methylamino)heptan-2-one;methane has a molecular weight of 203.33 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-7-(methylamino)heptan-2-one;methane is sourced from PubChem (CID 158194061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).