7-amino-1-ethoxy-5,5-dimethylheptan-2-one

C11H23NO2 — CID 116574732

IUPAC7-amino-1-ethoxy-5,5-dimethylheptan-2-one
SMILESCCOCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-4-14-9-10(13)5-6-11(2,3)7-8-12/h4-9,12H2,1-3H3
InChIKeyYXGDDQGSCJXVLW-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.75
Rot. Bonds8

About 7-amino-1-ethoxy-5,5-dimethylheptan-2-one

7-amino-1-ethoxy-5,5-dimethylheptan-2-one (PubChem CID 116574732) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-amino-1-ethoxy-5,5-dimethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-ethoxy-5,5-dimethylheptan-2-one
PubChem CID116574732
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name7-amino-1-ethoxy-5,5-dimethylheptan-2-one
SMILESCCOCC(=O)CCC(C)(C)CCN
InChIInChI=1S/C11H23NO2/c1-4-14-9-10(13)5-6-11(2,3)7-8-12/h4-9,12H2,1-3H3
InChIKeyYXGDDQGSCJXVLW-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-amino-1-ethoxy-5,5-dimethylheptan-2-one?
The IUPAC name of 7-amino-1-ethoxy-5,5-dimethylheptan-2-one (CID 116574732) is 7-amino-1-ethoxy-5,5-dimethylheptan-2-one.
What is the SMILES notation for 7-amino-1-ethoxy-5,5-dimethylheptan-2-one?
The canonical SMILES for 7-amino-1-ethoxy-5,5-dimethylheptan-2-one is CCOCC(=O)CCC(C)(C)CCN.
What is the InChIKey of 7-amino-1-ethoxy-5,5-dimethylheptan-2-one?
The InChIKey is YXGDDQGSCJXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-14-9-10(13)5-6-11(2,3)7-8-12/h4-9,12H2,1-3H3.
What are the key properties of 7-amino-1-ethoxy-5,5-dimethylheptan-2-one?
7-amino-1-ethoxy-5,5-dimethylheptan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-ethoxy-5,5-dimethylheptan-2-one is sourced from PubChem (CID 116574732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).