ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate

C15H30N2O3 — CID 82743485

IUPACethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
SMILESCCOC(=O)C(C)(CCCCN(C)C1CCOC1)NC
InChIInChI=1S/C15H30N2O3/c1-5-20-14(18)15(2,16-3)9-6-7-10-17(4)13-8-11-19-12-13/h13,16H,5-12H2,1-4H3
InChIKeyNNUYUILWINHWBR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.42
Rot. Bonds9

About ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate

ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate (PubChem CID 82743485) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
PubChem CID82743485
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
SMILESCCOC(=O)C(C)(CCCCN(C)C1CCOC1)NC
InChIInChI=1S/C15H30N2O3/c1-5-20-14(18)15(2,16-3)9-6-7-10-17(4)13-8-11-19-12-13/h13,16H,5-12H2,1-4H3
InChIKeyNNUYUILWINHWBR-UHFFFAOYSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743564
ethyl 2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanoate
CID 82734670
ethyl 2-(cyclopropylamino)-2-methyl-3-[methyl(oxolan-3-yl)amino]propanoate
CID 82744284
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
2-(cyclopropylamino)-2-methyl-5-[methyl(oxolan-3-yl)amino]pentanamide
CID 82743641
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]butanoate
CID 82743969
6-[methyl(oxolan-3-yl)amino]hexanehydrazide
CID 82753777
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N-butyl-N-methyloxolan-3-amine
CID 154189060
hydrazinyl 3-[methyl(oxolan-3-yl)amino]propanoate
CID 82754758
ethyl 6-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)hexanoate
CID 106204484

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
The IUPAC name of ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate (CID 82743485) is ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate.
What is the SMILES notation for ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
The canonical SMILES for ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate is CCOC(=O)C(C)(CCCCN(C)C1CCOC1)NC.
What is the InChIKey of ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
The InChIKey is NNUYUILWINHWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-20-14(18)15(2,16-3)9-6-7-10-17(4)13-8-11-19-12-13/h13,16H,5-12H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate?
ethyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate has a molecular weight of 286.42 g/mol, XLogP of 1.42, 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)-6-[methyl(oxolan-3-yl)amino]hexanoate is sourced from PubChem (CID 82743485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).