methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate

C12H26N2O3 — CID 79623662

IUPACmethyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
SMILESCOCCN(C)CCNCC(C)(C)C(=O)OC
InChIInChI=1S/C12H26N2O3/c1-12(2,11(15)17-5)10-13-6-7-14(3)8-9-16-4/h13H,6-10H2,1-5H3
InChIKeyHCYRTHGXNDZVAY-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.35
Rot. Bonds9

About methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate

methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate (PubChem CID 79623662) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
PubChem CID79623662
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Namemethyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate
SMILESCOCCN(C)CCNCC(C)(C)C(=O)OC
InChIInChI=1S/C12H26N2O3/c1-12(2,11(15)17-5)10-13-6-7-14(3)8-9-16-4/h13H,6-10H2,1-5H3
InChIKeyHCYRTHGXNDZVAY-UHFFFAOYSA-N
XLogP0.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.35
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 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
3-[[2-[2-methoxyethyl(methyl)amino]ethylamino]methyl]pentan-3-ol
CID 114493091
N-(3,3-dimethylbutyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62557559
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 62844322
methyl 2,2-dimethyl-3-(prop-2-enylamino)propanoate
CID 13049576
N'-(2-methoxyethyl)-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62557035
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbutanamide
CID 62843976
N-ethyl-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methylacetamide
CID 62843102
N-tert-butyl-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 61427619
1-(azepan-1-yl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanone
CID 62843119
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-methylpropanamide
CID 62843100

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate (CID 79623662) is methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate is COCCN(C)CCNCC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate?
The InChIKey is HCYRTHGXNDZVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-12(2,11(15)17-5)10-13-6-7-14(3)8-9-16-4/h13H,6-10H2,1-5H3.
What are the key properties of methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate?
methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate has a molecular weight of 246.35 g/mol, XLogP of 0.35, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79623662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).