2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide

C13H25N3O2 — CID 81490233

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C13H25N3O2/c1-10(9-18-2)14-13(17)8-16-6-5-11-3-4-12(7-16)15-11/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyWALGWNLAJYWWCA-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.04
Rot. Bonds5

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 81490233) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID81490233
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C13H25N3O2/c1-10(9-18-2)14-13(17)8-16-6-5-11-3-4-12(7-16)15-11/h10-12,15H,3-9H2,1-2H3,(H,14,17)
InChIKeyWALGWNLAJYWWCA-UHFFFAOYSA-N
XLogP-0.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
CID 81491039
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 81491720
N-(1-methoxypropan-2-yl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448068
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 114802649
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 81491193
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119927689
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
N-[(2S)-1-methoxypropan-2-yl]-2-pyrrolidin-1-ylacetamide
CID 94784934
N-(1-methoxypropan-2-yl)-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]acetamide
CID 63853257
2-(3-aminoazetidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 63761326
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 119927408

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 81490233) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1CCC2CCC(C1)N2.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is WALGWNLAJYWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(9-18-2)14-13(17)8-16-6-5-11-3-4-12(7-16)15-11/h10-12,15H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 255.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 81490233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).