N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

C10H18N2O — CID 118428826

IUPACN-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
SMILESCC(=O)NCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H18N2O/c1-7(13)11-6-8-4-9-2-3-10(5-8)12-9/h8-10,12H,2-6H2,1H3,(H,11,13)/t8?,9-,10+
InChIKeyDXHLPXSZSZOLGI-PBINXNQUSA-N
MW182.27 g/mol
LogP0.65
Rot. Bonds2

About N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide (PubChem CID 118428826) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
PubChem CID118428826
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
SMILESCC(=O)NCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C10H18N2O/c1-7(13)11-6-8-4-9-2-3-10(5-8)12-9/h8-10,12H,2-6H2,1H3,(H,11,13)/t8?,9-,10+
InChIKeyDXHLPXSZSZOLGI-PBINXNQUSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The IUPAC name of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide (CID 118428826) is N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide is CC(=O)NCC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The InChIKey is DXHLPXSZSZOLGI-PBINXNQUSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(13)11-6-8-4-9-2-3-10(5-8)12-9/h8-10,12H,2-6H2,1H3,(H,11,13)/t8?,9-,10+.
What are the key properties of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide is sourced from PubChem (CID 118428826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).