methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate

C15H29NO3 — CID 54889793

IUPACmethyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate
SMILESCCC(C)CC(CC)(NCC1CCCO1)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-5-12(3)10-15(6-2,14(17)18-4)16-11-13-8-7-9-19-13/h12-13,16H,5-11H2,1-4H3
InChIKeyZUJCVFORDWXSJH-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.51
Rot. Bonds8

About methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate

methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate (PubChem CID 54889793) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate
PubChem CID54889793
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate
SMILESCCC(C)CC(CC)(NCC1CCCO1)C(=O)OC
InChIInChI=1S/C15H29NO3/c1-5-12(3)10-15(6-2,14(17)18-4)16-11-13-8-7-9-19-13/h12-13,16H,5-11H2,1-4H3
InChIKeyZUJCVFORDWXSJH-UHFFFAOYSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate?
The IUPAC name of methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate (CID 54889793) is methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate.
What is the SMILES notation for methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate?
The canonical SMILES for methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate is CCC(C)CC(CC)(NCC1CCCO1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate?
The InChIKey is ZUJCVFORDWXSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-5-12(3)10-15(6-2,14(17)18-4)16-11-13-8-7-9-19-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate?
methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate has a molecular weight of 271.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-methyl-2-(oxolan-2-ylmethylamino)hexanoate is sourced from PubChem (CID 54889793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).