ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate

C16H32N2O3 — CID 63711443

IUPACethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
SMILESCCOC(=O)C(C)(CCCN(C)CC1CCCOC1)NC
InChIInChI=1S/C16H32N2O3/c1-5-21-15(19)16(2,17-3)9-7-10-18(4)12-14-8-6-11-20-13-14/h14,17H,5-13H2,1-4H3
InChIKeyCYNAFOALVMHSNB-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.67
Rot. Bonds9

About ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate

ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate (PubChem CID 63711443) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
PubChem CID63711443
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
SMILESCCOC(=O)C(C)(CCCN(C)CC1CCCOC1)NC
InChIInChI=1S/C16H32N2O3/c1-5-21-15(19)16(2,17-3)9-7-10-18(4)12-14-8-6-11-20-13-14/h14,17H,5-13H2,1-4H3
InChIKeyCYNAFOALVMHSNB-UHFFFAOYSA-N
XLogP1.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
CID 106806273
ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743485
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
ethyl 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713360
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
ethyl 6-(cyclohexylmethoxy)-2-methyl-2-(methylamino)hexanoate
CID 62384314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate (CID 63711443) is ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate is CCOC(=O)C(C)(CCCN(C)CC1CCCOC1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate?
The InChIKey is CYNAFOALVMHSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-21-15(19)16(2,17-3)9-7-10-18(4)12-14-8-6-11-20-13-14/h14,17H,5-13H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate?
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate has a molecular weight of 300.44 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate is sourced from PubChem (CID 63711443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).