2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide

C10H19N3O — CID 130763606

IUPAC2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1[C@H]2CCNC[C@@H]1CC2
InChIInChI=1S/C10H19N3O/c1-11-10(14)7-13-8-2-3-9(13)6-12-5-4-8/h8-9,12H,2-7H2,1H3,(H,11,14)/t8-,9+/m1/s1
InChIKeyHQGWECWYINLJBB-BDAKNGLRSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds2

About 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide

2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide (PubChem CID 130763606) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
PubChem CID130763606
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1[C@H]2CCNC[C@@H]1CC2
InChIInChI=1S/C10H19N3O/c1-11-10(14)7-13-8-2-3-9(13)6-12-5-4-8/h8-9,12H,2-7H2,1H3,(H,11,14)/t8-,9+/m1/s1
InChIKeyHQGWECWYINLJBB-BDAKNGLRSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
The IUPAC name of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide (CID 130763606) is 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
The canonical SMILES for 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide is CNC(=O)CN1[C@H]2CCNC[C@@H]1CC2.
What is the InChIKey of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
The InChIKey is HQGWECWYINLJBB-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-10(14)7-13-8-2-3-9(13)6-12-5-4-8/h8-9,12H,2-7H2,1H3,(H,11,14)/t8-,9+/m1/s1.
What are the key properties of 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide?
2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide has a molecular weight of 197.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-methylacetamide is sourced from PubChem (CID 130763606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).