methyl 4-(diethylamino)-3,4-dimethylpentanoate

C12H25NO2 — CID 166717168

IUPACmethyl 4-(diethylamino)-3,4-dimethylpentanoate
SMILESCCN(CC)C(C)(C)C(C)CC(=O)OC
InChIInChI=1S/C12H25NO2/c1-7-13(8-2)12(4,5)10(3)9-11(14)15-6/h10H,7-9H2,1-6H3
InChIKeyRVTWIPVPKAQKOF-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds6

About methyl 4-(diethylamino)-3,4-dimethylpentanoate

methyl 4-(diethylamino)-3,4-dimethylpentanoate (PubChem CID 166717168) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is methyl 4-(diethylamino)-3,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-(diethylamino)-3,4-dimethylpentanoate
PubChem CID166717168
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namemethyl 4-(diethylamino)-3,4-dimethylpentanoate
SMILESCCN(CC)C(C)(C)C(C)CC(=O)OC
InChIInChI=1S/C12H25NO2/c1-7-13(8-2)12(4,5)10(3)9-11(14)15-6/h10H,7-9H2,1-6H3
InChIKeyRVTWIPVPKAQKOF-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(diethylamino)-3,4-dimethylpentanoate?
The IUPAC name of methyl 4-(diethylamino)-3,4-dimethylpentanoate (CID 166717168) is methyl 4-(diethylamino)-3,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-(diethylamino)-3,4-dimethylpentanoate?
The canonical SMILES for methyl 4-(diethylamino)-3,4-dimethylpentanoate is CCN(CC)C(C)(C)C(C)CC(=O)OC.
What is the InChIKey of methyl 4-(diethylamino)-3,4-dimethylpentanoate?
The InChIKey is RVTWIPVPKAQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-7-13(8-2)12(4,5)10(3)9-11(14)15-6/h10H,7-9H2,1-6H3.
What are the key properties of methyl 4-(diethylamino)-3,4-dimethylpentanoate?
methyl 4-(diethylamino)-3,4-dimethylpentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(diethylamino)-3,4-dimethylpentanoate is sourced from PubChem (CID 166717168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).