2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide

C12H26N2O2 — CID 65050473

IUPAC2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide
SMILESCCC(CC)(CN)OCC(=O)NCC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)16-8-11(15)14-7-10(3)4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyZUUQXCOHZKTECQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.29
Rot. Bonds8

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

2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide (PubChem CID 65050473) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide
PubChem CID65050473
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide
SMILESCCC(CC)(CN)OCC(=O)NCC(C)C
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)16-8-11(15)14-7-10(3)4/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyZUUQXCOHZKTECQ-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pentan-3-yloxy]-N-pentan-2-ylacetamide
CID 65050698
bis[2-(2-methylpropylamino)-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7775398
3-[3-(2-aminoethoxy)propanoylamino]-N-(2-methylpropyl)propanamide
CID 112739075
N-(2-aminobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603389
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-methylpropyl)acetamide
CID 79662393
2-(1-amino-2-methylpropan-2-yl)oxy-N-butylacetamide
CID 65053674
N-[2-(aminomethyl)-2-ethylbutyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 114164078
[2-(2-methylpropylamino)-2-oxoethyl] 3,3,5,5-tetramethyloctanoate
CID 156738290
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
2-(1-amino-2-methylpropan-2-yl)oxy-N-pentan-2-ylacetamide
CID 65053735
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide (CID 65050473) is 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide is CCC(CC)(CN)OCC(=O)NCC(C)C.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide?
The InChIKey is ZUUQXCOHZKTECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(6-2,9-13)16-8-11(15)14-7-10(3)4/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide?
2-[3-(aminomethyl)pentan-3-yloxy]-N-(2-methylpropyl)acetamide has a molecular weight of 230.35 g/mol, XLogP of 1.29, 8 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 65050473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).