2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide

C13H26N2O3 — CID 65051453

IUPAC2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COC1(CN)CCCOC1
InChIInChI=1S/C13H26N2O3/c1-4-12(2,3)15-11(16)8-18-13(9-14)6-5-7-17-10-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyCVDWIODOOHKAOT-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds6

About 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide

2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide (PubChem CID 65051453) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide
PubChem CID65051453
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COC1(CN)CCCOC1
InChIInChI=1S/C13H26N2O3/c1-4-12(2,3)15-11(16)8-18-13(9-14)6-5-7-17-10-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKeyCVDWIODOOHKAOT-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
CID 65051564
N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide
CID 114113576
(3-hexoxyoxan-3-yl)methanamine
CID 65051462
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
[3-(4-methoxybutoxy)oxan-3-yl]methanamine
CID 104646740
2-(3-ethoxyoxan-3-yl)acetic acid
CID 105443019
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
3-[3-(aminomethyl)oxan-3-yl]oxy-N,N-dimethylpropan-1-amine
CID 114524598
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65051407
2-[1-(aminomethyl)cyclopentyl]oxy-N-cycloheptylacetamide
CID 65050926

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide (CID 65051453) is 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COC1(CN)CCCOC1.
What is the InChIKey of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is CVDWIODOOHKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-12(2,3)15-11(16)8-18-13(9-14)6-5-7-17-10-13/h4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide?
2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)oxan-3-yl]oxy-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 65051453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).