ethyl 4,4-dimethyl-2-(methylamino)pentanoate

C10H21NO2 — CID 62949492

IUPACethyl 4,4-dimethyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(CC(C)(C)C)NC
InChIInChI=1S/C10H21NO2/c1-6-13-9(12)8(11-5)7-10(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyXJXWQWSZFYHALD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds4

About ethyl 4,4-dimethyl-2-(methylamino)pentanoate

ethyl 4,4-dimethyl-2-(methylamino)pentanoate (PubChem CID 62949492) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 4,4-dimethyl-2-(methylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4,4-dimethyl-2-(methylamino)pentanoate
PubChem CID62949492
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 4,4-dimethyl-2-(methylamino)pentanoate
SMILESCCOC(=O)C(CC(C)(C)C)NC
InChIInChI=1S/C10H21NO2/c1-6-13-9(12)8(11-5)7-10(2,3)4/h8,11H,6-7H2,1-5H3
InChIKeyXJXWQWSZFYHALD-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethyl-2-(methylamino)pentanoate?
The IUPAC name of ethyl 4,4-dimethyl-2-(methylamino)pentanoate (CID 62949492) is ethyl 4,4-dimethyl-2-(methylamino)pentanoate.
What is the SMILES notation for ethyl 4,4-dimethyl-2-(methylamino)pentanoate?
The canonical SMILES for ethyl 4,4-dimethyl-2-(methylamino)pentanoate is CCOC(=O)C(CC(C)(C)C)NC.
What is the InChIKey of ethyl 4,4-dimethyl-2-(methylamino)pentanoate?
The InChIKey is XJXWQWSZFYHALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-13-9(12)8(11-5)7-10(2,3)4/h8,11H,6-7H2,1-5H3.
What are the key properties of ethyl 4,4-dimethyl-2-(methylamino)pentanoate?
ethyl 4,4-dimethyl-2-(methylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethyl-2-(methylamino)pentanoate is sourced from PubChem (CID 62949492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).