methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate

C12H26N2O2 — CID 60994649

IUPACmethyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
SMILESCCN(CC)CCNC(C)(CC)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-6-12(4,11(15)16-5)13-9-10-14(7-2)8-3/h13H,6-10H2,1-5H3
InChIKeyKCDZZAZLRBAVLY-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.26
Rot. Bonds8

About methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate

methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate (PubChem CID 60994649) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
PubChem CID60994649
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Namemethyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate
SMILESCCN(CC)CCNC(C)(CC)C(=O)OC
InChIInChI=1S/C12H26N2O2/c1-6-12(4,11(15)16-5)13-9-10-14(7-2)8-3/h13H,6-10H2,1-5H3
InChIKeyKCDZZAZLRBAVLY-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
ethyl 2-[2-(diethylamino)ethylamino]-4-methoxy-2,4-dimethylpentanoate
CID 60993509
2-[2-(diethylamino)ethylamino]-4,4-dimethoxy-2-methylbutanamide
CID 66180822
methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
CID 60993800
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
methyl 2-[2-(dimethylamino)ethylamino]-2-methylheptanoate
CID 80557685
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
methyl 4-methoxy-2,4-dimethyl-2-(propylamino)pentanoate
CID 60796248
methyl 5-[3-(dimethylamino)propyl-ethylamino]-2-methyl-2-(methylamino)pentanoate
CID 102996569
2-[2-(diethylamino)ethylamino]-2-ethyl-3-methylbutanamide
CID 54891979
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate?
The IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate (CID 60994649) is methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate is CCN(CC)CCNC(C)(CC)C(=O)OC.
What is the InChIKey of methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate?
The InChIKey is KCDZZAZLRBAVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-12(4,11(15)16-5)13-9-10-14(7-2)8-3/h13H,6-10H2,1-5H3.
What are the key properties of methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate?
methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate has a molecular weight of 230.35 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethylamino]-2-methylbutanoate is sourced from PubChem (CID 60994649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).