methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate

C14H28N2O3 — CID 63711102

IUPACmethyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
SMILESCNC(C)(CCN(C)CC1CCOCC1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)18-4)7-8-16(3)11-12-5-9-19-10-6-12/h12,15H,5-11H2,1-4H3
InChIKeySQIQENLVBKHIGF-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.89
Rot. Bonds7

About methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate

methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate (PubChem CID 63711102) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
PubChem CID63711102
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
SMILESCNC(C)(CCN(C)CC1CCOCC1)C(=O)OC
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)18-4)7-8-16(3)11-12-5-9-19-10-6-12/h12,15H,5-11H2,1-4H3
InChIKeySQIQENLVBKHIGF-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-(methylamino)-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butanoate
CID 63274774
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 63711272
methyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63712139
2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
methyl 2-methyl-2-(methylamino)-6-[methyl(oxolan-3-yl)amino]hexanoate
CID 82743564
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145
2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
methyl 6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexanoate
CID 62861406

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate (CID 63711102) is methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate is CNC(C)(CCN(C)CC1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate?
The InChIKey is SQIQENLVBKHIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(15-2,13(17)18-4)7-8-16(3)11-12-5-9-19-10-6-12/h12,15H,5-11H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate?
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate has a molecular weight of 272.39 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate is sourced from PubChem (CID 63711102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).