ethyl 4-(dimethylamino)-2-ethylbutanoate

C10H21NO2 — CID 14202330

IUPACethyl 4-(dimethylamino)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)CCN(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(7-8-11(3)4)10(12)13-6-2/h9H,5-8H2,1-4H3
InChIKeyOCCHYJQEYYRAFV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds6

About ethyl 4-(dimethylamino)-2-ethylbutanoate

ethyl 4-(dimethylamino)-2-ethylbutanoate (PubChem CID 14202330) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-ethylbutanoate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-ethylbutanoate
PubChem CID14202330
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 4-(dimethylamino)-2-ethylbutanoate
SMILESCCOC(=O)C(CC)CCN(C)C
InChIInChI=1S/C10H21NO2/c1-5-9(7-8-11(3)4)10(12)13-6-2/h9H,5-8H2,1-4H3
InChIKeyOCCHYJQEYYRAFV-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dimethylamino)-2-ethylbutanoate?
The IUPAC name of ethyl 4-(dimethylamino)-2-ethylbutanoate (CID 14202330) is ethyl 4-(dimethylamino)-2-ethylbutanoate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-ethylbutanoate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-ethylbutanoate is CCOC(=O)C(CC)CCN(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-ethylbutanoate?
The InChIKey is OCCHYJQEYYRAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(7-8-11(3)4)10(12)13-6-2/h9H,5-8H2,1-4H3.
What are the key properties of ethyl 4-(dimethylamino)-2-ethylbutanoate?
ethyl 4-(dimethylamino)-2-ethylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-ethylbutanoate is sourced from PubChem (CID 14202330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).