3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one

C11H23NO2 — CID 116603764

IUPAC3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one
SMILESCCC(CC)(CN)C(=O)COC(C)C
InChIInChI=1S/C11H23NO2/c1-5-11(6-2,8-12)10(13)7-14-9(3)4/h9H,5-8,12H2,1-4H3
InChIKeyJUTSYVJTGCGVFA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.75
Rot. Bonds7

About 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one

3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one (PubChem CID 116603764) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one
PubChem CID116603764
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one
SMILESCCC(CC)(CN)C(=O)COC(C)C
InChIInChI=1S/C11H23NO2/c1-5-11(6-2,8-12)10(13)7-14-9(3)4/h9H,5-8,12H2,1-4H3
InChIKeyJUTSYVJTGCGVFA-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Related Compounds

2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
N-(1-amino-2-methylbutan-2-yl)-2-propan-2-yloxyacetamide
CID 112604252
aluminum tris(2-ethyl-3-oxo-2,4-di(propan-2-yloxy)butanoate)
CID 22102125
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
ethyl 2-(aminomethyl)-2-ethyl-5-hydroxyhexanoate
CID 106487510
ethyl 2-propan-2-yloxyacetate
CID 537908
5-(aminomethyl)-5-ethylhept-1-en-4-one
CID 116603694
3-(aminomethyl)-3-ethyl-7,7-dimethyloctan-4-one
CID 116603712
4-(aminomethyl)-4-ethyl-1-ethylsulfonylhexan-3-one
CID 106736821
4,4,4-trifluoro-1-propan-2-yloxybutan-2-one
CID 79568383
aluminum tris(2-propan-2-yloxy-2-(2-propan-2-yloxyacetyl)pentanoate)
CID 22102129

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one?
The IUPAC name of 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one (CID 116603764) is 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one?
The canonical SMILES for 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one is CCC(CC)(CN)C(=O)COC(C)C.
What is the InChIKey of 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one?
The InChIKey is JUTSYVJTGCGVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(6-2,8-12)10(13)7-14-9(3)4/h9H,5-8,12H2,1-4H3.
What are the key properties of 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one?
3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-ethyl-1-propan-2-yloxypentan-2-one is sourced from PubChem (CID 116603764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).