2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide

C13H24N2O — CID 79608095

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O/c1-3-9(2)14-13(16)8-10-6-11-4-5-12(7-10)15-11/h9-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyYPHZDTXKBOYAAM-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.82
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide (PubChem CID 79608095) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
PubChem CID79608095
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C13H24N2O/c1-3-9(2)14-13(16)8-10-6-11-4-5-12(7-10)15-11/h9-12,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyYPHZDTXKBOYAAM-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 79607442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 79614755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
CID 119863526
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide (CID 79608095) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide is CCC(C)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide?
The InChIKey is YPHZDTXKBOYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-9(2)14-13(16)8-10-6-11-4-5-12(7-10)15-11/h9-12,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide has a molecular weight of 224.35 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide is sourced from PubChem (CID 79608095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).