2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide

C13H26N2O3 — CID 65051564

IUPAC2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COC1(CN)CCCOC1
InChIInChI=1S/C13H26N2O3/c1-3-5-11(2)15-12(16)8-18-13(9-14)6-4-7-17-10-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyDCIBQLPGUHTKCD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds7

About 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide

2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide (PubChem CID 65051564) 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-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
PubChem CID65051564
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COC1(CN)CCCOC1
InChIInChI=1S/C13H26N2O3/c1-3-5-11(2)15-12(16)8-18-13(9-14)6-4-7-17-10-13/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyDCIBQLPGUHTKCD-UHFFFAOYSA-N
XLogP0.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2-methylbutan-2-yl)acetamide
CID 65051453
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
2-[1-(aminomethyl)cycloheptyl]oxy-N-(3-methylbutan-2-yl)acetamide
CID 65051633
(3-hexoxyoxan-3-yl)methanamine
CID 65051462
2-[1-(aminomethyl)cyclopentyl]oxy-N-propylacetamide
CID 65050921
3-[1-(aminomethyl)cycloheptyl]oxy-N-propan-2-ylpropanamide
CID 65051854
2-[1-(aminomethyl)cyclohexyl]oxy-N-propylacetamide
CID 65051149
2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65051407
2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735
2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 65051935
4-(2-aminoethyl)-N-[(3-methoxyoxolan-3-yl)methyl]heptanamide
CID 104761558
[3-(4-methoxybutoxy)oxan-3-yl]methanamine
CID 104646740

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide (CID 65051564) is 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COC1(CN)CCCOC1.
What is the InChIKey of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide?
The InChIKey is DCIBQLPGUHTKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-5-11(2)15-12(16)8-18-13(9-14)6-4-7-17-10-13/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide?
2-[3-(aminomethyl)oxan-3-yl]oxy-N-pentan-2-ylacetamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 7 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-pentan-2-ylacetamide is sourced from PubChem (CID 65051564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).