ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate

C12H25NO2 — CID 142013637

IUPACethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate
SMILESCCCC(CN(C)C(C)C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-6-8-11(12(14)15-7-2)9-13(5)10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyUJJVLDQSTRCZFQ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds7

About ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate

ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate (PubChem CID 142013637) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate.

Molecular Properties

Compound Nameethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate
PubChem CID142013637
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate
SMILESCCCC(CN(C)C(C)C)C(=O)OCC
InChIInChI=1S/C12H25NO2/c1-6-8-11(12(14)15-7-2)9-13(5)10(3)4/h10-11H,6-9H2,1-5H3
InChIKeyUJJVLDQSTRCZFQ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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 ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate?
The IUPAC name of ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate (CID 142013637) is ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate.
What is the SMILES notation for ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate?
The canonical SMILES for ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate is CCCC(CN(C)C(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate?
The InChIKey is UJJVLDQSTRCZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-8-11(12(14)15-7-2)9-13(5)10(3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate?
ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate has a molecular weight of 215.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(propan-2-yl)amino]methyl]pentanoate is sourced from PubChem (CID 142013637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).