methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate

C14H27NO3 — CID 66098610

IUPACmethyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate
SMILESCCC1(C)CC(CC(=O)OC)(C(C)(C)N)CCO1
InChIInChI=1S/C14H27NO3/c1-6-13(4)10-14(7-8-18-13,12(2,3)15)9-11(16)17-5/h6-10,15H2,1-5H3
InChIKeyFWKZYVCQQBTKRB-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.25
Rot. Bonds4

About methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate

methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate (PubChem CID 66098610) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate
PubChem CID66098610
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Namemethyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate
SMILESCCC1(C)CC(CC(=O)OC)(C(C)(C)N)CCO1
InChIInChI=1S/C14H27NO3/c1-6-13(4)10-14(7-8-18-13,12(2,3)15)9-11(16)17-5/h6-10,15H2,1-5H3
InChIKeyFWKZYVCQQBTKRB-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
CID 66098608
methyl 2-[1-(2-aminopropan-2-yl)-4-ethylcyclohexyl]acetate
CID 66099022
2-ethyl-4-methoxy-2-methyloxane-4-carboxylic acid
CID 116769407
methyl 2-[1-(2-aminopropan-2-yl)-2,2-dimethylcyclopentyl]acetate
CID 79863323
ethyl 2-[(6S,10R)-10-ethyl-10-methyl-9-oxa-2-azaspiro[5.5]undecan-2-yl]acetate
CID 7241657
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
methyl 2-(2-methoxyoxan-2-yl)acetate
CID 10965266
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190
2-[(2S,4S)-2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]acetate
CID 6948997
2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)pentanoic acid
CID 83043572
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate?
The IUPAC name of methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate (CID 66098610) is methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate is CCC1(C)CC(CC(=O)OC)(C(C)(C)N)CCO1.
What is the InChIKey of methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate?
The InChIKey is FWKZYVCQQBTKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-13(4)10-14(7-8-18-13,12(2,3)15)9-11(16)17-5/h6-10,15H2,1-5H3.
What are the key properties of methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate?
methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate has a molecular weight of 257.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-aminopropan-2-yl)-2-ethyl-2-methyloxan-4-yl]acetate is sourced from PubChem (CID 66098610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).