2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide

C16H31N3O — CID 81491039

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-12(2)4-5-13(3)17-16(20)11-19-9-8-14-6-7-15(10-19)18-14/h12-15,18H,4-11H2,1-3H3,(H,17,20)
InChIKeyYZEXYOCLYUQPIL-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.75
Rot. Bonds6

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide (PubChem CID 81491039) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
PubChem CID81491039
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide
SMILESCC(C)CCC(C)NC(=O)CN1CCC2CCC(C1)N2
InChIInChI=1S/C16H31N3O/c1-12(2)4-5-13(3)17-16(20)11-19-9-8-14-6-7-15(10-19)18-14/h12-15,18H,4-11H2,1-3H3,(H,17,20)
InChIKeyYZEXYOCLYUQPIL-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 81490233
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119927689
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2-methylpropylcarbamoyl)acetamide;hydrochloride
CID 119927408
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
N-[(2R)-butan-2-yl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 129368574
2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 81495718
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 55030660
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide (CID 81491039) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide is CC(C)CCC(C)NC(=O)CN1CCC2CCC(C1)N2.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide?
The InChIKey is YZEXYOCLYUQPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)4-5-13(3)17-16(20)11-19-9-8-14-6-7-15(10-19)18-14/h12-15,18H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide has a molecular weight of 281.44 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methylhexan-2-yl)acetamide is sourced from PubChem (CID 81491039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).