2-amino-1-ethoxypentan-3-one;ethane

C9H21NO2 — CID 142239454

IUPAC2-amino-1-ethoxypentan-3-one;ethane
SMILESCC.CCOCC(N)C(=O)CC
InChIInChI=1S/C7H15NO2.C2H6/c1-3-7(9)6(8)5-10-4-2;1-2/h6H,3-5,8H2,1-2H3;1-2H3
InChIKeyNOKMXRCSSZSDSM-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-1-ethoxypentan-3-one;ethane

2-amino-1-ethoxypentan-3-one;ethane (PubChem CID 142239454) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-amino-1-ethoxypentan-3-one;ethane.

Molecular Properties

Compound Name2-amino-1-ethoxypentan-3-one;ethane
PubChem CID142239454
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-amino-1-ethoxypentan-3-one;ethane
SMILESCC.CCOCC(N)C(=O)CC
InChIInChI=1S/C7H15NO2.C2H6/c1-3-7(9)6(8)5-10-4-2;1-2/h6H,3-5,8H2,1-2H3;1-2H3
InChIKeyNOKMXRCSSZSDSM-UHFFFAOYSA-N
XLogP1.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethoxypentan-3-one;ethane?
The IUPAC name of 2-amino-1-ethoxypentan-3-one;ethane (CID 142239454) is 2-amino-1-ethoxypentan-3-one;ethane.
What is the SMILES notation for 2-amino-1-ethoxypentan-3-one;ethane?
The canonical SMILES for 2-amino-1-ethoxypentan-3-one;ethane is CC.CCOCC(N)C(=O)CC.
What is the InChIKey of 2-amino-1-ethoxypentan-3-one;ethane?
The InChIKey is NOKMXRCSSZSDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-3-7(9)6(8)5-10-4-2;1-2/h6H,3-5,8H2,1-2H3;1-2H3.
What are the key properties of 2-amino-1-ethoxypentan-3-one;ethane?
2-amino-1-ethoxypentan-3-one;ethane has a molecular weight of 175.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethoxypentan-3-one;ethane is sourced from PubChem (CID 142239454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).