N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide

C10H19N3O — CID 118136911

IUPACN-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide
SMILESCC(=O)NC1[C@H]2CNCN(C2)C[C@H]1C
InChIInChI=1S/C10H19N3O/c1-7-4-13-5-9(3-11-6-13)10(7)12-8(2)14/h7,9-11H,3-6H2,1-2H3,(H,12,14)/t7-,9+,10?/m1/s1
InChIKeyVSJMCHDEBKYPQE-IKZKJGMZSA-N
MW197.28 g/mol
LogP-0.38
Rot. Bonds1

About N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide

N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide (PubChem CID 118136911) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide.

Molecular Properties

Compound NameN-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide
PubChem CID118136911
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide
SMILESCC(=O)NC1[C@H]2CNCN(C2)C[C@H]1C
InChIInChI=1S/C10H19N3O/c1-7-4-13-5-9(3-11-6-13)10(7)12-8(2)14/h7,9-11H,3-6H2,1-2H3,(H,12,14)/t7-,9+,10?/m1/s1
InChIKeyVSJMCHDEBKYPQE-IKZKJGMZSA-N
XLogP-0.38
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)propan-1-one
CID 44222896
1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)ethan-1-one
CID 44223132
N-butan-2-yl-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 71840430
3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-1-carboxamide
CID 86768320
(3S)-3-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]piperidine-1-carboxamide
CID 95637927
1-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)-2-fluoro-2-methylpropan-1-one
CID 44222944
1-[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethanone
CID 67201147
Diazabicyclo[3.3.1]nonanone
CID 129721390
(2S)-2-amino-1-(3,7-diazabicyclo[3.3.1]nonan-3-yl)-3-methylbutan-1-one
CID 134834869
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]propan-1-one
CID 53354769
[(1S,5R)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyrrolidin-1-ylmethanone
CID 72696127
(1S,5R)-N,N-dimethyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 72697918

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide?
The IUPAC name of N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide (CID 118136911) is N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide.
What is the SMILES notation for N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide?
The canonical SMILES for N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide is CC(=O)NC1[C@H]2CNCN(C2)C[C@H]1C.
What is the InChIKey of N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide?
The InChIKey is VSJMCHDEBKYPQE-IKZKJGMZSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-4-13-5-9(3-11-6-13)10(7)12-8(2)14/h7,9-11H,3-6H2,1-2H3,(H,12,14)/t7-,9+,10?/m1/s1.
What are the key properties of N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide?
N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide has a molecular weight of 197.28 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-7-methyl-1,3-diazabicyclo[3.3.1]nonan-6-yl]acetamide is sourced from PubChem (CID 118136911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).