methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate

C12H27N3O2 — CID 55226782

IUPACmethyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN(C)CCN(C)C)C(=O)OC
InChIInChI=1S/C12H27N3O2/c1-7-13-12(2,11(16)17-6)10-15(5)9-8-14(3)4/h13H,7-10H2,1-6H3
InChIKeyVUUAMMAEFKHJPD-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.02
Rot. Bonds8

About methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate

methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate (PubChem CID 55226782) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
PubChem CID55226782
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Namemethyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate
SMILESCCNC(C)(CN(C)CCN(C)C)C(=O)OC
InChIInChI=1S/C12H27N3O2/c1-7-13-12(2,11(16)17-6)10-15(5)9-8-14(3)4/h13H,7-10H2,1-6H3
InChIKeyVUUAMMAEFKHJPD-UHFFFAOYSA-N
XLogP0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(cyclopropylamino)-3-[3-(dimethylamino)propyl-methylamino]-2-methylpropanoate
CID 55226592
ethyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpropanoate
CID 102996567
methyl 2-methyl-3-[methyl(2-phenylethyl)amino]-2-(propylamino)propanoate
CID 65486901
ethyl 2-(ethylamino)-2-methyl-3-[methyl(2-phenylethyl)amino]propanoate
CID 65487856
methyl 2-(ethylamino)-2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711767
methyl 2-[2-(dimethylamino)ethylamino]-2-methylheptanoate
CID 80557685
methyl 2-(ethylamino)-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65487667
methyl 2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-methylpentanoate
CID 64703757
methyl 3-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate (CID 55226782) is methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate is CCNC(C)(CN(C)CCN(C)C)C(=O)OC.
What is the InChIKey of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate?
The InChIKey is VUUAMMAEFKHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-7-13-12(2,11(16)17-6)10-15(5)9-8-14(3)4/h13H,7-10H2,1-6H3.
What are the key properties of methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate?
methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate has a molecular weight of 245.37 g/mol, XLogP of 0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)-2-methylpropanoate is sourced from PubChem (CID 55226782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).