1-(2-aminoethoxy)-4-methylpentan-3-one;ethane

C10H23NO2 — CID 156735833

IUPAC1-(2-aminoethoxy)-4-methylpentan-3-one;ethane
SMILESCC.CC(C)C(=O)CCOCCN
InChIInChI=1S/C8H17NO2.C2H6/c1-7(2)8(10)3-5-11-6-4-9;1-2/h7H,3-6,9H2,1-2H3;1-2H3
InChIKeyVGFLOBRDWRXYNP-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.60
Rot. Bonds6

About 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane

1-(2-aminoethoxy)-4-methylpentan-3-one;ethane (PubChem CID 156735833) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane.

Molecular Properties

Compound Name1-(2-aminoethoxy)-4-methylpentan-3-one;ethane
PubChem CID156735833
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-(2-aminoethoxy)-4-methylpentan-3-one;ethane
SMILESCC.CC(C)C(=O)CCOCCN
InChIInChI=1S/C8H17NO2.C2H6/c1-7(2)8(10)3-5-11-6-4-9;1-2/h7H,3-6,9H2,1-2H3;1-2H3
InChIKeyVGFLOBRDWRXYNP-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.60
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-(2-aminoethoxy)-4-methylpentan-3-one;ethane?
The IUPAC name of 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane (CID 156735833) is 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane.
What is the SMILES notation for 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane?
The canonical SMILES for 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane is CC.CC(C)C(=O)CCOCCN.
What is the InChIKey of 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane?
The InChIKey is VGFLOBRDWRXYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2.C2H6/c1-7(2)8(10)3-5-11-6-4-9;1-2/h7H,3-6,9H2,1-2H3;1-2H3.
What are the key properties of 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane?
1-(2-aminoethoxy)-4-methylpentan-3-one;ethane has a molecular weight of 189.30 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-4-methylpentan-3-one;ethane is sourced from PubChem (CID 156735833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).