2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide

C13H28N2O2 — CID 65050698

IUPAC2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COC(CC)(CC)CN
InChIInChI=1S/C13H28N2O2/c1-5-8-11(4)15-12(16)9-17-13(6-2,7-3)10-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyMZGLJSBYUYYWEM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.83
Rot. Bonds9

About 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide

2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide (PubChem CID 65050698) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide
PubChem CID65050698
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COC(CC)(CC)CN
InChIInChI=1S/C13H28N2O2/c1-5-8-11(4)15-12(16)9-17-13(6-2,7-3)10-14/h11H,5-10,14H2,1-4H3,(H,15,16)
InChIKeyMZGLJSBYUYYWEM-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735
2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide
CID 65050473
2-(2-amino-2-methylbutoxy)-N-pentan-2-ylacetamide
CID 64574230
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
CID 62009596
2-[(2-amino-2-oxoethoxy)amino]-N-pentan-2-ylacetamide
CID 112673773
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
N'-pentan-2-ylpropanediamide
CID 88934201
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
CID 62007962
2-bromo-N-pentan-2-ylacetamide
CID 54179178
N-(1-aminohexan-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603533
N-hexan-2-yl-2-methoxyacetamide
CID 64592486
N-[(2R)-hexan-2-yl]-2-methoxyacetamide
CID 24773041

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide (CID 65050698) is 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COC(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide?
The InChIKey is MZGLJSBYUYYWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-8-11(4)15-12(16)9-17-13(6-2,7-3)10-14/h11H,5-10,14H2,1-4H3,(H,15,16).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide?
2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide has a molecular weight of 244.38 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 65050698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).