methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate

C14H28N2O3 — CID 63742191

IUPACmethyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
SMILESCCN(CC)CCNC(C(=O)OC)C1CCCOC1
InChIInChI=1S/C14H28N2O3/c1-4-16(5-2)9-8-15-13(14(17)18-3)12-7-6-10-19-11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyWYTURIQGKRSNQB-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.89
Rot. Bonds8

About methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate

methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate (PubChem CID 63742191) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
PubChem CID63742191
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
SMILESCCN(CC)CCNC(C(=O)OC)C1CCCOC1
InChIInChI=1S/C14H28N2O3/c1-4-16(5-2)9-8-15-13(14(17)18-3)12-7-6-10-19-11-12/h12-13,15H,4-11H2,1-3H3
InChIKeyWYTURIQGKRSNQB-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

2-[2-(diethylamino)ethylamino]-2-(oxolan-3-yl)acetamide
CID 61005294
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
methyl 2-(3-azidopropylamino)-2-(oxan-3-yl)acetate
CID 66189126
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
ethyl 2-[2-(dimethylamino)ethylamino]-2-(oxolan-3-yl)acetate
CID 54895186
2-[2-(diethylamino)ethylamino]-2-(oxolan-2-yl)acetamide
CID 82837527
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
N',N'-diethyl-N-[[(3R)-oxan-3-yl]methyl]ethane-1,2-diamine
CID 93449849
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
methyl 2-(oxan-3-ylmethylamino)butanoate
CID 115353202
ethyl 3-(oxan-3-yl)-3-(propylamino)propanoate
CID 65236041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate?
The IUPAC name of methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate (CID 63742191) is methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate is CCN(CC)CCNC(C(=O)OC)C1CCCOC1.
What is the InChIKey of methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate?
The InChIKey is WYTURIQGKRSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-16(5-2)9-8-15-13(14(17)18-3)12-7-6-10-19-11-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate?
methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate has a molecular weight of 272.39 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate is sourced from PubChem (CID 63742191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).